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

Systemtic Name: ethyl 6-(3-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(3-methylpiperazin-1-yl)methyl]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-methylphenyl)-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methylpiperazino)methyl]-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-5-11-27-19(15-26-12-10-24-17(4)14-26)20(22(28)30-6-2)21(25-23(27)29)18-9-7-8-16(3)13-18/h5,7-9,13,17,21,24H,1,6,10-12,14-15H2,2-4H3,(H,25,29)