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

Systemtic Name: ethyl 4-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(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)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O5S/c1-2-26-12(23)8-11(22)9-27-17-20-14(18)13(16(25)21-17)19-15(24)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,19,24)(H3,18,20,21,25)