ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-2-[4-(2-pyridyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-keto-2-[4-(2-pyridyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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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=N4)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=N4)C(=O)OCC)O

InChI

InChI=1S/C24H29N5O5/c1-3-33-18-15-16(8-9-17(18)30)21-20(23(32)34-4-2)22(31)27-24(26-21)29-13-11-28(12-14-29)19-7-5-6-10-25-19/h5-10,15,20-21,30H,3-4,11-14H2,1-2H3,(H,26,27,31)