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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-tert-butylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-4-[(4-ethyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-tert-butylphenyl)-4-[(4-ethylpiperazino)methyl]-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C27H40N4O3/c1-7-14-31-22(19-30-17-15-29(8-2)16-18-30)23(25(32)34-9-3)24(28-26(31)33)20-10-12-21(13-11-20)27(4,5)6/h7,10-13,24H,1,8-9,14-19H2,2-6H3,(H,28,33)