(2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethyl)purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethyl)purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidyl)ethyl]purin-9-yl]-5-(3-ethylisoxazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-[2-(1-piperidinyl)ethyl]-9-purinyl]-5-(3-ethyl-5-isoxazolyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethyl)purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5S)-2-[6-(2,2-diphenylethylamino)-2-(2-piperidinoethyl)purin-9-yl]-5-(3-ethylisoxazol-5-yl)tetrahydrofuran-3,4-diol Formula: C35H41N7O4 MolecularWeight: 623.74454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)CCN7CCCCC7)O)O

Isomeric SMILES

CCC1=NOC(=C1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)CCN7CCCCC7)O)O

InChI

InChI=1S/C35H41N7O4/c1-2-25-20-27(46-40-25)32-30(43)31(44)35(45-32)42-22-37-29-33(38-28(39-34(29)42)16-19-41-17-10-5-11-18-41)36-21-26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,20,22,26,30-32,35,43-44H,2,5,10-11,16-19,21H2,1H3,(H,36,38,39)/t30-,31+,32+,35+/m0/s1