N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H21N5O2/c1-13-2-4-14(5-3-13)9-22-19-18(21)20(25-11-24-19)23-10-15-6-7-16-17(8-15)27-12-26-16/h2-8,11H,9-10,12,21H2,1H3,(H2,22,23,24,25)