2-azanyl-1-[(1-methyl-4-nitro-pyrrol-2-yl)methyl]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[(1-methyl-4-nitro-pyrrol-2-yl)methyl]-7H-purin-6-one Openeye Name: 2-amino-1-[(1-methyl-4-nitro-pyrrol-2-yl)methyl]-7H-purin-6-one CAS Name: 2-amino-1-[(1-methyl-4-nitro-2-pyrrolyl)methyl]-7H-purin-6-one IUPAC Name: 2-amino-1-[(1-methyl-4-nitropyrrol-2-yl)methyl]-7H-purin-6-one Traditional Name: 2-amino-1-[(1-methyl-4-nitro-pyrrol-2-yl)methyl]-7H-purin-6-one Formula: C11H11N7O3 MolecularWeight: 289.25014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1CN2C(=O)C3=C(N=CN3)N=C2N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1CN2C(=O)C3=C(N=CN3)N=C2N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N7O3/c1-16-3-7(18(20)21)2-6(16)4-17-10(19)8-9(14-5-13-8)15-11(17)12/h2-3,5H,4H2,1H3,(H2,12,15)(H,13,14)