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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-allyl-6-(4-tert-butylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(4-tert-butylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(4-tert-butylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-allyl-6-(4-tert-butylphenyl)-2-keto-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=C(C=C2)C(C)(C)C)CC=C)CN3CCN(CC3)C(=O)C

Isomeric SMILES

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

InChI

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