ethyl 6-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(4-sec-butylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-butan-2-yl-1-piperazinyl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[(4-sec-butylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C23H34N4O4/c1-5-16(3)27-13-11-26(12-14-27)15-19-20(22(28)31-6-2)21(25-23(29)24-19)17-7-9-18(30-4)10-8-17/h7-10,16,21H,5-6,11-15H2,1-4H3,(H2,24,25,29)