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

Systemtic Name: ethyl 6-(3-chlorophenyl)-4-(morpholin-4-ylmethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-chlorophenyl)-4-(morpholinomethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-4-(4-morpholinylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-4-(morpholin-4-ylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-chlorophenyl)-2-keto-4-(morpholinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCOCC3

InChI

InChI=1S/C21H26ClN3O4/c1-3-8-25-17(14-24-9-11-28-12-10-24)18(20(26)29-4-2)19(23-21(25)27)15-6-5-7-16(22)13-15/h3,5-7,13,19H,1,4,8-12,14H2,2H3,(H,23,27)