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

Systemtic Name: ethyl 6-(2-methylphenyl)-2-oxidanylidene-4-[(4-propanoylpiperazin-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(o-tolyl)-2-oxo-4-[(4-propanoylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-methylphenyl)-2-oxo-4-[[4-(1-oxopropyl)-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylphenyl)-2-oxo-4-[(4-propanoylpiperazin-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-(o-tolyl)-4-[(4-propionylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H34N4O4 MolecularWeight: 454.56186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C25H34N4O4/c1-5-12-29-20(17-27-13-15-28(16-14-27)21(30)6-2)22(24(31)33-7-3)23(26-25(29)32)19-11-9-8-10-18(19)4/h5,8-11,23H,1,6-7,12-17H2,2-4H3,(H,26,32)