ethyl 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

InChI

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