6-methyl-9-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-8-one

Systemtic Name: 6-methyl-9-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-8-one Openeye Name: 6-methyl-9-[(E)-(4-nitrophenyl)methyleneamino]-7H-purin-8-one CAS Name: 6-methyl-9-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-8-one IUPAC Name: 6-methyl-9-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-8-one Traditional Name: 6-methyl-9-[(E)-(4-nitrobenzylidene)amino]-7H-purin-8-one Formula: C13H10N6O3 MolecularWeight: 298.2569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C(=O)N2)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=NC=N1)N(C(=O)N2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O3/c1-8-11-12(15-7-14-8)18(13(20)17-11)16-6-9-2-4-10(5-3-9)19(21)22/h2-7H,1H3,(H,17,20)/b16-6+