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

Systemtic Name: N-(6-azanyl-2-butylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(6-amino-2-butylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-(butylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(6-amino-2-butylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-(butylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H22N4O4S/c1-4-5-8-26-17-20-14(18)13(16(23)21-17)19-15(22)10-6-7-11(24-2)12(9-10)25-3/h6-7,9H,4-5,8H2,1-3H3,(H,19,22)(H3,18,20,21,23)