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

Systemtic Name: 1-cyclohexyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-cyclohexyl-3H-purine-2,6-dione CAS Name: 1-cyclohexyl-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-cyclohexyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-cyclohexyl-xanthine Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2/c23-17-15-16(19-12-21(15)11-13-7-3-1-4-8-13)20-18(24)22(17)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,24)