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Molecule : 329

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1
2	InChIKey	InChI	1.03	TUOXPJFCQDMQOX-YFKPBYRVSA-N
3	SMILES	ACDLabs	10.04	N1=C(N)c2sccc2OC(C1)C
4	SMILES	CACTVS	3.341	C[CH]1CN=C(N)c2sccc2O1
5	SMILES	OpenEye OEToolkits	1.5.0	CC1CN=C(c2c(ccs2)O1)N
6	Canonical SMILES	CACTVS	3.341	C[C@H]1CN=C(N)c2sccc2O1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1CN=C(c2c(ccs2)O1)N