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

Systemtic Name: 1-[[6-(2,2-diphenylethylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]methyl]-3-(2-piperidin-1-ylethyl)urea Openeye Name: 1-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-[2-(1-piperidyl)ethyl]urea CAS Name: 1-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(2,2-diphenylethylamino)-2-purinyl]methyl]-3-[2-(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-piperidin-1-ylethyl)urea Traditional Name: 1-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(2,2-diphenylethylamino)purin-2-yl]methyl]-3-(2-piperidinoethyl)urea Formula: C33H42N8O5 MolecularWeight: 630.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O

Isomeric SMILES

C1CCN(CC1)CCNC(=O)NCC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O

InChI

InChI=1S/C33H42N8O5/c42-20-25-28(43)29(44)32(46-25)41-21-37-27-30(35-18-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23)38-26(39-31(27)41)19-36-33(45)34-14-17-40-15-8-3-9-16-40/h1-2,4-7,10-13,21,24-25,28-29,32,42-44H,3,8-9,14-20H2,(H2,34,36,45)(H,35,38,39)