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

Systemtic Name: methyl 4-[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-amino-6-(piperonylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O5/c1-26-20(25)13-3-5-14(6-4-13)29-19-17(21)18(23-10-24-19)22-9-12-2-7-15-16(8-12)28-11-27-15/h2-8,10H,9,11,21H2,1H3,(H,22,23,24)