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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-keto-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OCC)O

InChI

InChI=1S/C27H32N4O7/c1-3-35-21-14-18(6-7-19(21)32)24-23(26(34)36-4-2)25(33)29-27(28-24)31-11-9-30(10-12-31)15-17-5-8-20-22(13-17)38-16-37-20/h5-8,13-14,23-24,32H,3-4,9-12,15-16H2,1-2H3,(H,28,29,33)