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

Systemtic Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(piperonylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22ClN3O5/c1-2-29-21(27)19-16(11-24-10-13-3-8-17-18(9-13)31-12-30-17)25-22(28)26-20(19)14-4-6-15(23)7-5-14/h3-9,20,24H,2,10-12H2,1H3,(H2,25,26,28)