methyl 4-methyl-2-oxidanylidene-6-[3-(pentanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-5-7-11-17(25)22-16-10-8-9-15(13-16)19-18(20(26)28-4)14(3)24(12-6-2)21(27)23-19/h8-10,13,19H,5-7,11-12H2,1-4H3,(H,22,25)(H,23,27)