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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: (5-amino-6-anilino-pyrimidin-4-yl)-piperonyl-amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O2/c19-16-17(20-9-12-6-7-14-15(8-12)25-11-24-14)21-10-22-18(16)23-13-4-2-1-3-5-13/h1-8,10H,9,11,19H2,(H2,20,21,22,23)