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

Systemtic Name: 2-methylpropyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[3-(1-oxopentylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-2-thioxo-6-[3-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCC(=O)NC1=CC=CC(=C1)[C@H]2C(=C(N(C(=S)N2)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H31N3O3S/c1-6-7-11-18(26)23-17-10-8-9-16(12-17)20-19(21(27)28-13-14(2)3)15(4)25(5)22(29)24-20/h8-10,12,14,20H,6-7,11,13H2,1-5H3,(H,23,26)(H,24,29)/t20-/m0/s1