Marvin  12160811252D          

 21 23  0  0  0  0            999 V2000
   -1.1171    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324   -0.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    0.5299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9775   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150    0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4525   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    0.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150   -0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2605    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2605    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9749    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
 18  1  2  0  0  0  0
  3  2  1  0  0  0  0
 15  2  2  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
 14  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 13  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 14 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <ID>
CHEBI:51231

> <NAME>
DAPI

> <STAR>
3

> <SYNONYM>
4',6-diamidinophenyl-indole; 4',6-diamidino-2-phenylindole; 2-(4-(aminoiminomethyl)phenyl)-1H-indole-6-carboximidamide

> <IUPAC_NAME>
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

> <FORMULA>
C16H15N5

> <MASS>
277.32380

> <MONOISOTOPIC_MASS>
277.13275

> <CHARGE>
0

> <SMILES>
NC(=N)c1ccc(cc1)-c1cc2ccc(cc2[nH]1)C(N)=N

> <INCHI>
InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)

> <INCHIKEY>
FWBHETKCLVMNFS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3557399

> <CAS_REGISTRY_NUMBER>
47165-04-8

> <CHEMIDPLUS>
47165-04-8

$$$$