6-azanyl-2-(butylamino)-9-[(4-nitrophenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(4-nitrophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(4-nitrophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(4-nitrobenzyl)-7H-purin-8-one Formula: C16H19N7O3 MolecularWeight: 357.36716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O3/c1-2-3-8-18-15-20-13(17)12-14(21-15)22(16(24)19-12)9-10-4-6-11(7-5-10)23(25)26/h4-7H,2-3,8-9H2,1H3,(H,19,24)(H3,17,18,20,21)