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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-[(4-carbethoxypiperazino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N4O7 MolecularWeight: 460.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H28N4O7/c1-3-30-20(27)18-15(12-25-7-9-26(10-8-25)22(29)31-4-2)23-21(28)24-19(18)14-5-6-16-17(11-14)33-13-32-16/h5-6,11,19H,3-4,7-10,12-13H2,1-2H3,(H2,23,24,28)