methyl 3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H14N4O4S/c1-22-13(21)8-3-2-4-9(5-8)16-12(20)7-23-14-17-10(15)6-11(19)18-14/h2-6H,7H2,1H3,(H,16,20)(H3,15,17,18,19)