N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)OC

InChI

InChI=1S/C20H21N5O4/c1-26-13-4-5-14(16(8-13)27-2)25-20-18(21)19(23-10-24-20)22-9-12-3-6-15-17(7-12)29-11-28-15/h3-8,10H,9,11,21H2,1-2H3,(H2,22,23,24,25)