9-cyclopentyl-N-[(4-nitrophenyl)methyl]purin-6-amine

Systemtic Name: 9-cyclopentyl-N-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 9-cyclopentyl-N-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 9-cyclopentyl-N-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: 9-cyclopentyl-N-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: (9-cyclopentylpurin-6-yl)-(4-nitrobenzyl)amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O2/c24-23(25)14-7-5-12(6-8-14)9-18-16-15-17(20-10-19-16)22(11-21-15)13-3-1-2-4-13/h5-8,10-11,13H,1-4,9H2,(H,18,19,20)