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

Systemtic Name: ethyl 4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-isopropylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-6-(4-propan-2-ylphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-(4-propan-2-ylphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methylpiperazino)methyl]-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-6-13-29-21(16-28-14-12-26-18(5)15-28)22(24(30)32-7-2)23(27-25(29)31)20-10-8-19(9-11-20)17(3)4/h6,8-11,17-18,23,26H,1,7,12-16H2,2-5H3,(H,27,31)