2,8-bis(azanyl)-9-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 2,8-diamino-9-benzyl-3H-purin-6-one CAS Name: 2,8-diamino-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2,8-diamino-9-benzyl-3H-purin-6-one Traditional Name: 2,8-diamino-9-benzyl-3H-purin-6-one Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C12H12N6O/c13-11-16-9-8(10(19)17-11)15-12(14)18(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15)(H3,13,16,17,19)