3-methyl-1-phenethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-1-phenethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 3-methyl-1-phenethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-1-phenethylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-1-phenethyl-xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-23-19-18(24(15-22-19)14-17-10-6-3-7-11-17)20(26)25(21(23)27)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3