ethyl 4-methyl-3-(4-methylphenyl)-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-3-(4-methylphenyl)-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-3-(p-tolyl)-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-(4-methylphenyl)-6-[2-(1-pyrrolidinyl)-5-pyrimidinyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-(4-methylphenyl)-6-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-(p-tolyl)-6-(2-pyrrolidinopyrimidin-5-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CN=C(N=C2)N3CCCC3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CN=C(N=C2)N3CCCC3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H27N5O2S/c1-4-30-21(29)19-16(3)28(18-9-7-15(2)8-10-18)23(31)26-20(19)17-13-24-22(25-14-17)27-11-5-6-12-27/h7-10,13-14,20H,4-6,11-12H2,1-3H3,(H,26,31)