8-imidazol-1-yl-1,3-dimethyl-7-[(3-methylnaphthalen-2-yl)methyl]purine-2,6-dione

Systemtic Name: 8-imidazol-1-yl-1,3-dimethyl-7-[(3-methylnaphthalen-2-yl)methyl]purine-2,6-dione Openeye Name: 8-imidazol-1-yl-1,3-dimethyl-7-[(3-methyl-2-naphthyl)methyl]purine-2,6-dione CAS Name: 8-(1-imidazolyl)-1,3-dimethyl-7-[(3-methyl-2-naphthalenyl)methyl]purine-2,6-dione IUPAC Name: 8-imidazol-1-yl-1,3-dimethyl-7-[(3-methylnaphthalen-2-yl)methyl]purine-2,6-dione Traditional Name: 8-imidazol-1-yl-1,3-dimethyl-7-[(3-methyl-2-naphthyl)methyl]xanthine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=C1CN3C4=C(N=C3N5C=CN=C5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC2=CC=CC=C2C=C1CN3C4=C(N=C3N5C=CN=C5)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C22H20N6O2/c1-14-10-15-6-4-5-7-16(15)11-17(14)12-28-18-19(24-21(28)27-9-8-23-13-27)25(2)22(30)26(3)20(18)29/h4-11,13H,12H2,1-3H3