N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide

Systemtic Name: N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-(cyclopentylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-(cyclopentylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC3CCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC3CCCC3)N)OC

InChI

InChI=1S/C18H22N4O4S/c1-25-12-8-7-10(9-13(12)26-2)16(23)20-14-15(19)21-18(22-17(14)24)27-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,20,23)(H3,19,21,22,24)