(2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(1H-1,2,4-triazol-5-yl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(1H-1,2,4-triazol-5-yl)oxolane-3,4-diol Openeye Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(1H-1,2,4-triazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(3-pyrrolidinylamino)-9-purinyl]-5-(1H-1,2,4-triazol-5-yl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(1H-1,2,4-triazol-5-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S)-2-[6-(2,2-diphenylethylamino)-2-(pyrrolidin-3-ylamino)purin-9-yl]-5-(1H-1,2,4-triazol-5-yl)tetrahydrofuran-3,4-diol Formula: C29H32N10O3 MolecularWeight: 568.62958

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)C7=NC=NN7)O)O

Isomeric SMILES

C1CNCC1NC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3[C@H]6[C@@H]([C@@H](C(O6)C7=NC=NN7)O)O

InChI

InChI=1S/C29H32N10O3/c40-22-23(41)28(42-24(22)26-32-15-34-38-26)39-16-33-21-25(36-29(37-27(21)39)35-19-11-12-30-13-19)31-14-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,19-20,22-24,28,30,40-41H,11-14H2,(H,32,34,38)(H2,31,35,36,37)/t19?,22-,23+,24?,28+/m0/s1