propan-2-yl 3-ethyl-4-methyl-6-[4-[(2-phenylcyclopropyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-ethyl-4-methyl-6-[4-[(2-phenylcyclopropyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-ethyl-4-methyl-6-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[oxo-(2-phenylcyclopropyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-4-methyl-6-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3CC3C4=CC=CC=C4)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3CC3C4=CC=CC=C4)C(=O)OC(C)C)C

InChI

InChI=1S/C27H31N3O3S/c1-5-30-17(4)23(26(32)33-16(2)3)24(29-27(30)34)19-11-13-20(14-12-19)28-25(31)22-15-21(22)18-9-7-6-8-10-18/h6-14,16,21-22,24H,5,15H2,1-4H3,(H,28,31)(H,29,34)