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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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