ethyl 6-(2,4-dichlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,4-dichlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(2,4-dichlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dichlorophenyl)-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dichlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(2,4-dichlorophenyl)-2-keto-4-[(3-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H28Cl2N4O3 MolecularWeight: 467.38872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCNC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCNC(C3)C

InChI

InChI=1S/C22H28Cl2N4O3/c1-4-9-28-18(13-27-10-8-25-14(3)12-27)19(21(29)31-5-2)20(26-22(28)30)16-7-6-15(23)11-17(16)24/h4,6-7,11,14,20,25H,1,5,8-10,12-13H2,2-3H3,(H,26,30)