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

Systemtic Name: ethyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

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