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

Systemtic Name: propan-2-yl (6S)-3,4-dimethyl-2-oxidanylidene-6-[4-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-3,4-dimethyl-2-oxo-6-[4-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-2-oxo-6-[4-(1-oxopentylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-3,4-dimethyl-2-oxo-6-[4-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-2-keto-3,4-dimethyl-6-[4-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-6-7-8-17(25)22-16-11-9-15(10-12-16)19-18(20(26)28-13(2)3)14(4)24(5)21(27)23-19/h9-13,19H,6-8H2,1-5H3,(H,22,25)(H,23,27)/t19-/m0/s1