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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(m-tolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(m-toluidino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H19N5O2 MolecularWeight: 349.38646

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2/c1-12-3-2-4-14(7-12)24-19-17(20)18(22-10-23-19)21-9-13-5-6-15-16(8-13)26-11-25-15/h2-8,10H,9,11,20H2,1H3,(H2,21,22,23,24)