N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-nitrophenyl)methyl]-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: [9-(4-nitrobenzyl)-2-piperazino-purin-6-yl]-piperonyl-amine Formula: C24H24N8O4 MolecularWeight: 488.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H24N8O4/c33-32(34)18-4-1-16(2-5-18)13-31-14-27-21-22(26-12-17-3-6-19-20(11-17)36-15-35-19)28-24(29-23(21)31)30-9-7-25-8-10-30/h1-6,11,14,25H,7-10,12-13,15H2,(H,26,28,29)