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

Systemtic Name: ethyl 6-(3-chlorophenyl)-4-(diethylaminomethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-chlorophenyl)-4-(diethylaminomethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-(diethylaminomethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-4-(diethylaminomethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-chlorophenyl)-4-(diethylaminomethyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O3/c1-5-12-25-17(14-24(6-2)7-3)18(20(26)28-8-4)19(23-21(25)27)15-10-9-11-16(22)13-15/h5,9-11,13,19H,1,6-8,12,14H2,2-4H3,(H,23,27)