2-cyclohexyl-9-(2-oxidanylidene-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-cyclohexyl-9-(2-oxidanylidene-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 9-(1-acetyl-4-phenyl-butyl)-2-cyclohexyl-3H-purin-6-one CAS Name: 2-cyclohexyl-9-(2-oxo-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-cyclohexyl-9-(2-oxo-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 9-(1-acetyl-4-phenyl-butyl)-2-cyclohexyl-3H-purin-6-one Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-16(28)19(14-8-11-17-9-4-2-5-10-17)27-15-24-20-22(27)25-21(26-23(20)29)18-12-6-3-7-13-18/h2,4-5,9-10,15,18-19H,3,6-8,11-14H2,1H3,(H,25,26,29)