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

Systemtic Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-keto-6-[(piperonylamino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5/c1-4-30-23(28)21-18(12-25-11-16-7-8-19-20(10-16)32-13-31-19)26-24(29)27-22(21)17-9-14(2)5-6-15(17)3/h5-10,22,25H,4,11-13H2,1-3H3,(H2,26,27,29)