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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C)N

InChI

InChI=1S/C15H16N4O3S/c1-8-3-5-10(6-4-8)13(21)17-11-12(16)18-15(19-14(11)22)23-7-9(2)20/h3-6H,7H2,1-2H3,(H,17,21)(H3,16,18,19,22)