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

Systemtic Name: ethyl 4-azanyl-2-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[1-(3-chlorophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c1-2-26-16(25)11-8-20-17(21-14(11)19)27-12-7-13(23)22(15(12)24)10-5-3-4-9(18)6-10/h3-6,8,12H,2,7H2,1H3,(H2,19,20,21)