2-chloranyl-8-(cyclohexylmethyl)-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-8-(cyclohexylmethyl)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-8-(cyclohexylmethyl)-1-methyl-purin-6-one CAS Name: 2-chloro-8-(cyclohexylmethyl)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-8-(cyclohexylmethyl)-1-methylpurin-6-one Traditional Name: 7-benzyl-2-chloro-8-(cyclohexylmethyl)-1-methyl-purin-6-one Formula: C20H23ClN4O MolecularWeight: 370.87582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCCC4)N=C1Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4CCCCC4)N=C1Cl

InChI

InChI=1S/C20H23ClN4O/c1-24-19(26)17-18(23-20(24)21)22-16(12-14-8-4-2-5-9-14)25(17)13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3