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Molecule : P62

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H21ClN4OS/c1-21(2)8-7-18-10-14-13(15(22)20-16(23)19-14)9-11-3-5-12(17)6-4-11/h3-6,18H,7-10H2,1-2H3,(H2,19,20,22,23)
2	InChIKey	InChI	1.03	BODROOXVZKSZLI-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O
4	SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl
5	Canonical SMILES	CACTVS	3.385	CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl