N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N4-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[4-(diphenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-4-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzhydrylpiperazino)pyrimidin-4-yl]-piperonyl-amine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N6O2/c30-26-28(31-18-21-11-12-24-25(17-21)37-20-36-24)32-19-33-29(26)35-15-13-34(14-16-35)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,17,19,27H,13-16,18,20,30H2,(H,31,32,33)