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

Systemtic Name: (1R,2S,3R,5S)-3-[2-[(3S)-3-azanylpyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5S)-3-[2-[(3S)-3-aminopyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5S)-3-[2-[(3S)-3-amino-1-pyrrolidinyl]-6-(2,2-diphenylethylamino)-9-purinyl]-5-[4-(hydroxymethyl)-1-pyrazolyl]cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5S)-3-[2-[(3S)-3-aminopyrrolidin-1-yl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-[4-(hydroxymethyl)pyrazol-1-yl]cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5S)-3-[2-[(3S)-3-aminopyrrolidino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-methylolpyrazol-1-yl)cyclopentane-1,2-diol Formula: C32H37N9O3 MolecularWeight: 595.69468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=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

C1CN(C[C@H]1N)C2=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/C32H37N9O3/c33-23-11-12-39(17-23)32-37-30(34-15-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)27-31(38-32)40(19-35-27)25-13-26(29(44)28(25)43)41-16-20(18-42)14-36-41/h1-10,14,16,19,23-26,28-29,42-44H,11-13,15,17-18,33H2,(H,34,37,38)/t23-,25+,26-,28-,29+/m0/s1