ethyl 4-azanyl-2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2,5-diketo-1-phenyl-pyrrolidin-3-yl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S/c1-2-25-16(24)11-9-19-17(20-14(11)18)26-12-8-13(22)21(15(12)23)10-6-4-3-5-7-10/h3-7,9,12H,2,8H2,1H3,(H2,18,19,20)