(2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(pyridin-4-ylamino)pyrrolidin-1-yl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(pyridin-4-ylamino)pyrrolidin-1-yl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(4-pyridylamino)pyrrolidin-1-yl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(pyridin-4-ylamino)-1-pyrrolidinyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(pyridin-4-ylamino)pyrrolidin-1-yl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3S)-3-(4-pyridylamino)pyrrolidino]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C35H39N9O4 MolecularWeight: 649.74206

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(C6)NC7=CC=NC=C7)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)N6CC[C@@H](C6)NC7=CC=NC=C7)O)O

InChI

InChI=1S/C35H39N9O4/c1-2-37-33(47)30-28(45)29(46)34(48-30)44-21-39-27-31(38-19-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23)41-35(42-32(27)44)43-18-15-25(20-43)40-24-13-16-36-17-14-24/h3-14,16-17,21,25-26,28-30,34,45-46H,2,15,18-20H2,1H3,(H,36,40)(H,37,47)(H,38,41,42)/t25-,28-,29+,30-,34+/m0/s1