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

Systemtic Name: diethyl 2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S/c1-3-27-16(25)12(17(26)28-4-2)29-18-21-13(19)11(15(24)22-18)20-14(23)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,20,23)(H3,19,21,22,24)