ethyl N-[4-azanyl-1-methyl-2-(phenylmethylsulfanyl)imidazo[4,5-c]pyridin-6-yl]carbamate

Systemtic Name: ethyl N-[4-azanyl-1-methyl-2-(phenylmethylsulfanyl)imidazo[4,5-c]pyridin-6-yl]carbamate Openeye Name: ethyl N-(4-amino-2-benzylsulfanyl-1-methyl-imidazo[4,5-c]pyridin-6-yl)carbamate CAS Name: N-[4-amino-1-methyl-2-(phenylmethylthio)-6-imidazo[4,5-c]pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(4-amino-2-benzylsulfanyl-1-methylimidazo[4,5-c]pyridin-6-yl)carbamate Traditional Name: N-[4-amino-2-(benzylthio)-1-methyl-imidazo[4,5-c]pyridin-6-yl]carbamic acid ethyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C2C(=C1)N(C(=N2)SCC3=CC=CC=C3)C)N

Isomeric SMILES

CCOC(=O)NC1=NC(=C2C(=C1)N(C(=N2)SCC3=CC=CC=C3)C)N

InChI

InChI=1S/C17H19N5O2S/c1-3-24-17(23)20-13-9-12-14(15(18)19-13)21-16(22(12)2)25-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H3,18,19,20,23)