3-methylbutyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-methylbutyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopentyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(diethylamino)phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

InChI

InChI=1S/C21H31N3O3/c1-6-24(7-2)17-10-8-16(9-11-17)19-18(15(5)22-21(26)23-19)20(25)27-13-12-14(3)4/h8-11,14,19H,6-7,12-13H2,1-5H3,(H2,22,23,26)