(1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidyl)ethylamino]purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidinyl)ethylamino]-9-purinyl]-5-[4-(hydroxymethyl)-1-pyrazolyl]cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-(2-piperidinoethylamino)purin-9-yl]-5-(4-methylolpyrazol-1-yl)cyclopentane-1,2-diol Formula: C35H43N9O3 MolecularWeight: 637.77442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6CC(C(C6O)O)N7C=C(C=N7)CO

Isomeric SMILES

C1CCN(CC1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3[C@@H]6C[C@@H]([C@H]([C@H]6O)O)N7C=C(C=N7)CO

InChI

InChI=1S/C35H43N9O3/c45-22-24-19-39-44(21-24)29-18-28(31(46)32(29)47)43-23-38-30-33(40-35(41-34(30)43)36-14-17-42-15-8-3-9-16-42)37-20-27(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-2,4-7,10-13,19,21,23,27-29,31-32,45-47H,3,8-9,14-18,20,22H2,(H2,36,37,40,41)/t28-,29+,31+,32-/m1/s1