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

Systemtic Name: ethyl 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate Openeye Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate Traditional Name: 4-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C17H20N4O4S/c1-3-12(26-17-20-13(18)9-14(22)21-17)15(23)19-11-7-5-10(6-8-11)16(24)25-4-2/h5-9,12H,3-4H2,1-2H3,(H,19,23)(H3,18,20,21,22)