methyl 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N5O4/c1-26(15-6-4-3-5-14(15)21(27)28-2)20-18(22)19(24-11-25-20)23-10-13-7-8-16-17(9-13)30-12-29-16/h3-9,11H,10,12,22H2,1-2H3,(H,23,24,25)