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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C

InChI

InChI=1S/C20H21N5O2/c1-12-5-13(2)7-15(6-12)25-20-18(21)19(23-10-24-20)22-9-14-3-4-16-17(8-14)27-11-26-16/h3-8,10H,9,11,21H2,1-2H3,(H2,22,23,24,25)