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

Systemtic Name: ethyl 4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-isobutyryl-3-methyl-piperazino)methyl]-2-keto-6-(o-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=CC=C2C)CC=C)CN3CCN(C(C3)C)C(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(C(C3)C)C(=O)C(C)C

InChI

InChI=1S/C27H38N4O4/c1-7-13-31-22(17-29-14-15-30(20(6)16-29)25(32)18(3)4)23(26(33)35-8-2)24(28-27(31)34)21-12-10-9-11-19(21)5/h7,9-12,18,20,24H,1,8,13-17H2,2-6H3,(H,28,34)