1-[[6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea

Systemtic Name: 1-[[6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea Openeye Name: 1-[[6-[2,2-bis(m-tolyl)ethylamino]-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]methyl]-3-[2-(diisopropylamino)ethyl]urea CAS Name: 1-[[6-[2,2-bis(3-methylphenyl)ethylamino]-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea IUPAC Name: 1-[[6-[2,2-bis(3-methylphenyl)ethylamino]-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea Traditional Name: 1-[[6-[2,2-bis(m-tolyl)ethylamino]-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]methyl]-3-[2-(diisopropylamino)ethyl]urea Formula: C36H50N8O5 MolecularWeight: 674.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CNC(=O)NCCN(C(C)C)C(C)C)C5=CC=CC(=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)CNC(=O)NCCN(C(C)C)C(C)C)C5=CC=CC(=C5)C

InChI

InChI=1S/C36H50N8O5/c1-21(2)43(22(3)4)14-13-37-36(48)39-18-29-41-33(30-34(42-29)44(20-40-30)35-32(47)31(46)28(19-45)49-35)38-17-27(25-11-7-9-23(5)15-25)26-12-8-10-24(6)16-26/h7-12,15-16,20-22,27-28,31-32,35,45-47H,13-14,17-19H2,1-6H3,(H2,37,39,48)(H,38,41,42)