N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-methoxy-benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-methoxy-benzamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-methoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-methoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#C)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#C)N

InChI

InChI=1S/C15H14N4O3S/c1-3-8-23-15-18-12(16)11(14(21)19-15)17-13(20)9-4-6-10(22-2)7-5-9/h1,4-7H,8H2,2H3,(H,17,20)(H3,16,18,19,21)