6-azanyl-9-[(4-methylphenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[(4-methylphenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-9-(p-tolylmethyl)-7H-purin-8-one CAS Name: 6-amino-9-[(4-methylphenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[(4-methylphenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-9-(4-methylbenzyl)-7H-purin-8-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)NC2=O

InChI

InChI=1S/C13H13N5O/c1-8-2-4-9(5-3-8)6-18-12-10(17-13(18)19)11(14)15-7-16-12/h2-5,7H,6H2,1H3,(H,17,19)(H2,14,15,16)