1-methyl-9-phenethyl-8-phenyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-9-phenethyl-8-phenyl-3H-purine-2,6-dione Openeye Name: 1-methyl-9-phenethyl-8-phenyl-3H-purine-2,6-dione CAS Name: 1-methyl-9-phenethyl-8-phenyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-9-phenethyl-8-phenyl-3H-purine-2,6-dione Traditional Name: 1-methyl-9-phenethyl-8-phenyl-xanthine Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2/c1-23-19(25)16-18(22-20(23)26)24(13-12-14-8-4-2-5-9-14)17(21-16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,22,26)