5-[[6-[(3-nitrophenyl)methylamino]-7H-purin-2-yl]amino]pentan-1-ol

Systemtic Name: 5-[[6-[(3-nitrophenyl)methylamino]-7H-purin-2-yl]amino]pentan-1-ol Openeye Name: 5-[[6-[(3-nitrophenyl)methylamino]-7H-purin-2-yl]amino]pentan-1-ol CAS Name: 5-[[6-[(3-nitrophenyl)methylamino]-7H-purin-2-yl]amino]-1-pentanol IUPAC Name: 5-[[6-[(3-nitrophenyl)methylamino]-7H-purin-2-yl]amino]pentan-1-ol Traditional Name: 5-[[6-[(3-nitrobenzyl)amino]-7H-purin-2-yl]amino]pentan-1-ol Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC(=NC3=C2NC=N3)NCCCCCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC(=NC3=C2NC=N3)NCCCCCO

InChI

InChI=1S/C17H21N7O3/c25-8-3-1-2-7-18-17-22-15(14-16(23-17)21-11-20-14)19-10-12-5-4-6-13(9-12)24(26)27/h4-6,9,11,25H,1-3,7-8,10H2,(H3,18,19,20,21,22,23)