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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(diphenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzhydryl-N6-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(diphenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzhydryl-6-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NC(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C25H23N5O2/c26-22-24(27-14-17-11-12-20-21(13-17)32-16-31-20)28-15-29-25(22)30-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,15,23H,14,16,26H2,(H2,27,28,29,30)