2,8-bis(azanyl)-9-[(4-methylphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[(4-methylphenyl)methyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-(p-tolylmethyl)-3H-purin-6-one CAS Name: 2,8-diamino-9-[(4-methylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[(4-methylphenyl)methyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-(4-methylbenzyl)-3H-purin-6-one Formula: C13H14N6O MolecularWeight: 270.28986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C13H14N6O/c1-7-2-4-8(5-3-7)6-19-10-9(16-13(19)15)11(20)18-12(14)17-10/h2-5H,6H2,1H3,(H2,15,16)(H3,14,17,18,20)