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

Systemtic Name: 2-methylpropyl (6R)-6-[4-(cyclopropylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6R)-6-[4-(cyclopropanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[[cyclopropyl(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-(cyclopropanecarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyclopropanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)OCC(C)C

InChI

InChI=1S/C21H27N3O3S/c1-12(2)11-27-20(26)17-13(3)24(4)21(28)23-18(17)14-7-9-16(10-8-14)22-19(25)15-5-6-15/h7-10,12,15,18H,5-6,11H2,1-4H3,(H,22,25)(H,23,28)/t18-/m1/s1