ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-fluorophenyl)-1-piperazinyl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-fluorophenyl)piperazino]-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29FN4O5 MolecularWeight: 484.519963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(=O)OCC)O

InChI

InChI=1S/C25H29FN4O5/c1-3-34-20-15-16(9-10-19(20)31)22-21(24(33)35-4-2)23(32)28-25(27-22)30-13-11-29(12-14-30)18-8-6-5-7-17(18)26/h5-10,15,21-22,31H,3-4,11-14H2,1-2H3,(H,27,28,32)