ethyl 4-(diethylaminomethyl)-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(diethylaminomethyl)-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-(diethylaminomethyl)-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(diethylaminomethyl)-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(diethylaminomethyl)-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-(diethylaminomethyl)-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(NC(=O)N1CC=C)C2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C(NC(=O)N1CC=C)C2=CC=CC=C2C)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-6-14-25-18(15-24(7-2)8-3)19(21(26)28-9-4)20(23-22(25)27)17-13-11-10-12-16(17)5/h6,10-13,20H,1,7-9,14-15H2,2-5H3,(H,23,27)