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

Systemtic Name: ethyl 4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-6-(4-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-6-(4-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-6-(4-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-isovalerylpiperazino)methyl]-2-keto-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O4/c1-6-12-31-22(18-29-13-15-30(16-14-29)23(32)17-19(3)4)24(26(33)35-7-2)25(28-27(31)34)21-10-8-20(5)9-11-21/h6,8-11,19,25H,1,7,12-18H2,2-5H3,(H,28,34)