1-[[6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]methyl]-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]urea

Systemtic Name: 1-[[6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]methyl]-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]urea Openeye Name: 1-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-[2-(2,2,6,6-tetramethyl-1-piperidyl)ethyl]urea CAS Name: 1-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(2,2-diphenylethylamino)-2-purinyl]methyl]-3-[2-(2,2,6,6-tetramethyl-1-piperidinyl)ethyl]urea IUPAC Name: 1-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]urea Traditional Name: 1-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-[2-(2,2,6,6-tetramethylpiperidino)ethyl]urea Formula: C37H50N8O5 MolecularWeight: 686.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(N1CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O)(C)C)C

Isomeric SMILES

CC1(CCCC(N1CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O)(C)C)C

InChI

InChI=1S/C37H50N8O5/c1-36(2)16-11-17-37(3,4)45(36)19-18-38-35(49)40-21-28-42-32(39-20-26(24-12-7-5-8-13-24)25-14-9-6-10-15-25)29-33(43-28)44(23-41-29)34-31(48)30(47)27(22-46)50-34/h5-10,12-15,23,26-27,30-31,34,46-48H,11,16-22H2,1-4H3,(H2,38,40,49)(H,39,42,43)