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

Systemtic Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-carbethoxypiperazino)-4-(3-ethoxy-4-hydroxy-phenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O7/c1-4-31-16-13-14(7-8-15(16)27)18-17(20(29)32-5-2)19(28)24-21(23-18)25-9-11-26(12-10-25)22(30)33-6-3/h7-8,13,17-18,27H,4-6,9-12H2,1-3H3,(H,23,24,28)