8-nitro-2-[(phenylmethyl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 8-nitro-2-[(phenylmethyl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-(benzylamino)-8-nitro-3,7-dihydropurin-6-one CAS Name: 8-nitro-2-[(phenylmethyl)amino]-3,7-dihydropurin-6-one IUPAC Name: 2-(benzylamino)-8-nitro-3,7-dihydropurin-6-one Traditional Name: 2-(benzylamino)-8-nitro-3,7-dihydropurin-6-one Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C3=C(N2)N=C(N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C3=C(N2)N=C(N3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3/c19-10-8-9(16-12(14-8)18(20)21)15-11(17-10)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17,19)