ethyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O5S/c1-3-26-16(25)12(9(2)22)27-17-20-13(18)11(15(24)21-17)19-14(23)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H,19,23)(H3,18,20,21,24)