|
PDBeChem : Molecule Descriptors
Molecule : P2Z
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
ZGUGWUXLJSTTMA-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
S2c1ccccc1N(c3c2cccc3)CCCN(C)C |
4 |
SMILES
|
CACTVS |
3.385 |
CN(C)CCCN1c2ccccc2Sc3ccccc13 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CN(C)CCCN1c2ccccc2Sc3c1cccc3 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CN(C)CCCN1c2ccccc2Sc3ccccc13 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CN(C)CCCN1c2ccccc2Sc3c1cccc3 |
|