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

Systemtic Name: ethyl 6-(2,4-dichlorophenyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-allyl-6-(2,4-dichlorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-allyl-6-(2,4-dichlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H28Cl2N4O4 MolecularWeight: 495.39882

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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)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H28Cl2N4O4/c1-4-8-29-19(14-27-9-11-28(12-10-27)15(3)30)20(22(31)33-5-2)21(26-23(29)32)17-7-6-16(24)13-18(17)25/h4,6-7,13,21H,1,5,8-12,14H2,2-3H3,(H,26,32)