2-methylpropyl (6R)-6-[4-(cyclobutylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (6R)-6-[4-(cyclobutylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6R)-6-[4-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[[cyclobutyl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6R)-6-[4-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3CCC3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3CCC3)C(=O)OCC(C)C

InChI

InChI=1S/C22H29N3O3S/c1-13(2)12-28-21(27)18-14(3)25(4)22(29)24-19(18)15-8-10-17(11-9-15)23-20(26)16-6-5-7-16/h8-11,13,16,19H,5-7,12H2,1-4H3,(H,23,26)(H,24,29)/t19-/m1/s1