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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-(m-tolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N5O2/c1-3-26(16-6-4-5-14(2)9-16)21-19(22)20(24-12-25-21)23-11-15-7-8-17-18(10-15)28-13-27-17/h4-10,12H,3,11,13,22H2,1-2H3,(H,23,24,25)