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

Systemtic Name: ethyl 4-[(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclopropanecarbonyl)-3-methyl-piperazino]methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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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)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCN(C(C3)C)C(=O)C4CC4

InChI

InChI=1S/C27H36N4O4/c1-5-13-31-22(17-29-14-15-30(19(4)16-29)25(32)20-11-12-20)23(26(33)35-6-2)24(28-27(31)34)21-10-8-7-9-18(21)3/h5,7-10,19-20,24H,1,6,11-17H2,2-4H3,(H,28,34)