ethyl N-[4-azanyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate

Systemtic Name: ethyl N-[4-azanyl-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate Openeye Name: ethyl N-[4-amino-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate CAS Name: N-[4-amino-2-(1,3-benzodioxol-5-ylmethylthio)-1H-imidazo[4,5-c]pyridin-6-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-amino-2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate Traditional Name: N-[4-amino-2-(piperonylthio)-1H-imidazo[4,5-c]pyridin-6-yl]carbamic acid ethyl ester Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)SCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)SCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C17H17N5O4S/c1-2-24-17(23)21-13-6-10-14(15(18)20-13)22-16(19-10)27-7-9-3-4-11-12(5-9)26-8-25-11/h3-6H,2,7-8H2,1H3,(H,19,22)(H3,18,20,21,23)