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

Systemtic Name: ethyl 6-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(2,4-dichlorophenyl)-4-(morpholinomethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dichlorophenyl)-4-(4-morpholinylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(2,4-dichlorophenyl)-2-keto-4-(morpholinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H25Cl2N3O4 MolecularWeight: 454.3469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2N3O4/c1-3-7-26-17(13-25-8-10-29-11-9-25)18(20(27)30-4-2)19(24-21(26)28)15-6-5-14(22)12-16(15)23/h3,5-6,12,19H,1,4,7-11,13H2,2H3,(H,24,28)