9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[2-(cyclohexylamino)ethylamino]-2-methyl-7H-purin-8-one Formula: C23H31BrN6O MolecularWeight: 487.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCNC3CCCCC3)NC(=O)N2C4=C(C=C(C=C4)C(C)C)Br

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCNC3CCCCC3)NC(=O)N2C4=C(C=C(C=C4)C(C)C)Br

InChI

InChI=1S/C23H31BrN6O/c1-14(2)16-9-10-19(18(24)13-16)30-22-20(29-23(30)31)21(27-15(3)28-22)26-12-11-25-17-7-5-4-6-8-17/h9-10,13-14,17,25H,4-8,11-12H2,1-3H3,(H,29,31)(H,26,27,28)