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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H18N4O5S/c1-8(21)7-26-16-19-13(17)12(15(23)20-16)18-14(22)9-4-5-10(24-2)11(6-9)25-3/h4-6H,7H2,1-3H3,(H,18,22)(H3,17,19,20,23)