2,8-bis(azanyl)-1-(phenylmethyl)-7H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-1-(phenylmethyl)-7H-purin-6-one Openeye Name: 2,8-diamino-1-benzyl-7H-purin-6-one CAS Name: 2,8-diamino-1-(phenylmethyl)-7H-purin-6-one IUPAC Name: 2,8-diamino-1-benzyl-7H-purin-6-one Traditional Name: 2,8-diamino-1-benzyl-7H-purin-6-one Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3)N)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3)N)N=C2N

InChI

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