dimethyl 5-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C(=O)OC

InChI

InChI=1S/C22H21N5O6/c1-30-21(28)13-6-14(22(29)31-2)8-15(7-13)27-20-18(23)19(25-10-26-20)24-9-12-3-4-16-17(5-12)33-11-32-16/h3-8,10H,9,11,23H2,1-2H3,(H2,24,25,26,27)