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

Systemtic Name: propyl 3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-2-6-24-15(23)10-4-3-5-11(7-10)18-14(22)9-25-16-19-12(17)8-13(21)20-16/h3-5,7-8H,2,6,9H2,1H3,(H,18,22)(H3,17,19,20,21)