N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[2-(1-acetyl-2-oxo-propyl)sulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-(2,4-dioxopentan-3-ylthio)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[2-[(1-acetyl-2-keto-propyl)thio]-6-amino-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-8-4-6-11(7-5-8)15(24)19-12-14(18)20-17(21-16(12)25)26-13(9(2)22)10(3)23/h4-7,13H,1-3H3,(H,19,24)(H3,18,20,21,25)