8-azanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-azanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-amino-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-amino-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-amino-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-amino-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N)N(C2=O)C

InChI

InChI=1S/C15H17N5O2/c1-9-4-6-10(7-5-9)8-20-13(21)11-12(19(3)15(20)22)17-14(16)18(11)2/h4-7H,8H2,1-3H3,(H2,16,17)