propan-2-yl (6S)-6-[4-(heptanoylamino)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6S)-6-[4-(heptanoylamino)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-6-[4-(heptanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-2-oxo-6-[4-(1-oxoheptylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-6-[4-(heptanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[4-(enanthylamino)phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=O)N2)C)C)C(=O)OC(C)C

InChI

InChI=1S/C23H33N3O4/c1-6-7-8-9-10-19(27)24-18-13-11-17(12-14-18)21-20(22(28)30-15(2)3)16(4)26(5)23(29)25-21/h11-15,21H,6-10H2,1-5H3,(H,24,27)(H,25,29)/t21-/m0/s1