3-(2,6-dimethylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-(2,6-dimethylphenyl)-7H-purine-2,6-dione CAS Name: 3-(2,6-dimethylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-(2,6-dimethylphenyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-(2,6-dimethylphenyl)-7H-purine-2,6-quinone Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H18N4O2/c1-13-7-6-8-14(2)17(13)24-18-16(21-12-22-18)19(25)23(20(24)26)11-15-9-4-3-5-10-15/h3-10,12H,11H2,1-2H3,(H,21,22)