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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-14(2)11-30-23(29)16-4-6-17(7-5-16)28-22-20(24)21(26-12-27-22)25-10-15-3-8-18-19(9-15)32-13-31-18/h3-9,12,14H,10-11,13,24H2,1-2H3,(H2,25,26,27,28)