2-cyclohexyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-cyclohexyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-cyclohexyl-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-cyclohexyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-cyclohexyl-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-cyclohexyl-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4CCCCC4

InChI

InChI=1S/C22H28N4O/c1-16(9-8-12-17-10-4-2-5-11-17)26-15-23-19-21(26)24-20(25-22(19)27)18-13-6-3-7-14-18/h2,4-5,10-11,15-16,18H,3,6-9,12-14H2,1H3,(H,24,25,27)