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

Systemtic Name: ethyl 4-azanyl-2-[1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-26-17(25)12-9-20-18(21-15(12)19)27-13-8-14(23)22(16(13)24)11-6-4-5-10(2)7-11/h4-7,9,13H,3,8H2,1-2H3,(H2,19,20,21)