6-azanylidene-1-oxidanyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanylidene-1-oxidanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 9-benzyl-1-hydroxy-6-imino-7H-purin-8-one CAS Name: 1-hydroxy-6-imino-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 9-benzyl-1-hydroxy-6-imino-7H-purin-8-one Traditional Name: 9-benzyl-1-hydroxy-6-imino-7H-purin-8-one Formula: C12H11N5O2 MolecularWeight: 257.24804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=N)N(C=N3)O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=N)N(C=N3)O)NC2=O

InChI

InChI=1S/C12H11N5O2/c13-10-9-11(14-7-17(10)19)16(12(18)15-9)6-8-4-2-1-3-5-8/h1-5,7,13,19H,6H2,(H,15,18)