2-methylpropyl 3-ethyl-4-methyl-6-[4-(2-phenylmethoxyethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-(2-phenylmethoxyethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(2-benzyloxyacetyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[(1-oxo-2-phenylmethoxyethyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(2-benzoxyacetyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)COCC3=CC=CC=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)COCC3=CC=CC=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C27H33N3O4S/c1-5-30-19(4)24(26(32)34-15-18(2)3)25(29-27(30)35)21-11-13-22(14-12-21)28-23(31)17-33-16-20-9-7-6-8-10-20/h6-14,18,25H,5,15-17H2,1-4H3,(H,28,31)(H,29,35)