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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-3,4-dimethoxybenzamide Traditional Name: N-[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-4-7-25-16-19-13(17)12(15(22)20-16)18-14(21)9-5-6-10(23-2)11(8-9)24-3/h4-6,8H,1,7H2,2-3H3,(H,18,21)(H3,17,19,20,22)