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

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-6-(3-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazino]methyl]-2-keto-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H41N5O4 MolecularWeight: 511.65624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C28H41N5O4/c1-8-13-33-22(18-31-14-15-32(20(4)17-31)27(36)30-28(5,6)7)23(25(34)37-9-2)24(29-26(33)35)21-12-10-11-19(3)16-21/h8,10-12,16,20,24H,1,9,13-15,17-18H2,2-7H3,(H,29,35)(H,30,36)