6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-anilino-6-(4-piperonylpiperazino)-s-triazin-2-yl]-phenyl-amine Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6

InChI

InChI=1S/C27H27N7O2/c1-3-7-21(8-4-1)28-25-30-26(29-22-9-5-2-6-10-22)32-27(31-25)34-15-13-33(14-16-34)18-20-11-12-23-24(17-20)36-19-35-23/h1-12,17H,13-16,18-19H2,(H2,28,29,30,31,32)