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

Systemtic Name: 6-azanyl-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-methyl-9-(4-nitrobenzyl)-7H-purin-8-one Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3/c1-7-15-11(14)10-12(16-7)18(13(20)17-10)6-8-2-4-9(5-3-8)19(21)22/h2-5H,6H2,1H3,(H,17,20)(H2,14,15,16)