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

Systemtic Name: ethyl 6-(4-methylphenyl)-2-oxidanylidene-4-[[4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(isopropylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methylphenyl)-2-oxo-4-[[4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylphenyl)-2-oxo-4-[[4-(propan-2-ylcarbamoyl)piperazin-1-yl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(isopropylcarbamoyl)piperazino]methyl]-2-keto-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H37N5O4 MolecularWeight: 483.60308

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4/c1-6-12-31-21(17-29-13-15-30(16-14-29)25(33)27-18(3)4)22(24(32)35-7-2)23(28-26(31)34)20-10-8-19(5)9-11-20/h6,8-11,18,23H,1,7,12-17H2,2-5H3,(H,27,33)(H,28,34)