methyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]butyric acid methyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

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