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

Systemtic Name: 9-[(4-aminophenyl)methyl]-6-azanyl-2-methyl-7H-purin-8-one; 6-azanyl-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-9-[(4-aminophenyl)methyl]-2-methyl-7H-purin-8-one; 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-9-[(4-aminophenyl)methyl]-2-methyl-7H-purin-8-one; 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[(4-aminophenyl)methyl]-2-methyl-7H-purin-8-one; 6-amino-2-methyl-9-[(4-nitrophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-9-(4-aminobenzyl)-2-methyl-7H-purin-8-one; 6-amino-2-methyl-9-(4-nitrobenzyl)-7H-purin-8-one Formula: C26H26N12O4 MolecularWeight: 570.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H12N6O3.C13H14N6O/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;1-7-16-11(15)10-12(17-7)19(13(20)18-10)6-8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H,17,20)(H2,14,15,16);2-5H,6,14H2,1H3,(H,18,20)(H2,15,16,17)