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

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(tert-butylcarbamoyl)piperazino]methyl]-2-keto-6-phenyl-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=CC=C2)CC=C)CN3CCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

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

InChI

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