9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-N-prop-2-enyl-purin-6-amine

Systemtic Name: 9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine CAS Name: 9-[(4-nitrophenyl)methyl]-2-(1-piperazinyl)-N-prop-2-enyl-6-purinamine IUPAC Name: 9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[9-(4-nitrobenzyl)-2-piperazino-purin-6-yl]amine Formula: C19H22N8O2 MolecularWeight: 394.43038

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C19H22N8O2/c1-2-7-21-17-16-18(24-19(23-17)25-10-8-20-9-11-25)26(13-22-16)12-14-3-5-15(6-4-14)27(28)29/h2-6,13,20H,1,7-12H2,(H,21,23,24)