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

Systemtic Name: 2-methoxyethyl (6S)-6-[4-(heptanoylamino)phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5/c1-5-6-7-8-9-19(27)24-18-12-10-17(11-13-18)21-20(22(28)31-15-14-30-4)16(2)26(3)23(29)25-21/h10-13,21H,5-9,14-15H2,1-4H3,(H,24,27)(H,25,29)/t21-/m0/s1