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

Systemtic Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[4-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(isovalerylamino)phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)NC(=O)CC(C)C)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1C)C2=CC=C(C=C2)NC(=O)CC(C)C)C(=O)OCCOC

InChI

InChI=1S/C21H29N3O5/c1-13(2)12-17(25)22-16-8-6-15(7-9-16)19-18(20(26)29-11-10-28-5)14(3)24(4)21(27)23-19/h6-9,13,19H,10-12H2,1-5H3,(H,22,25)(H,23,27)/t19-/m1/s1