9-[(1R,2S,3R,4S)-2,3-bis(oxidanyl)-4-(propanoylamino)cyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-(piperidin-4-ylcarbamoylamino)ethyl]purine-2-carboxamide

Systemtic Name: 9-[(1R,2S,3R,4S)-2,3-bis(oxidanyl)-4-(propanoylamino)cyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-(piperidin-4-ylcarbamoylamino)ethyl]purine-2-carboxamide Openeye Name: 6-(benzhydrylamino)-9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-N-[2-(4-piperidylcarbamoylamino)ethyl]purine-2-carboxamide CAS Name: 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(1-oxopropylamino)cyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-[[oxo-(4-piperidinylamino)methyl]amino]ethyl]-2-purinecarboxamide IUPAC Name: 6-(benzhydrylamino)-9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-N-[2-(piperidin-4-ylcarbamoylamino)ethyl]purine-2-carboxamide Traditional Name: 6-(benzhydrylamino)-9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-propionamido-cyclopentyl]-N-[2-(4-piperidylcarbamoylamino)ethyl]purine-2-carboxamide Formula: C35H44N10O5 MolecularWeight: 684.78786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCNC(=O)NC6CCNCC6

Isomeric SMILES

CCC(=O)N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=C(N=C3NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCNC(=O)NC6CCNCC6

InChI

InChI=1S/C35H44N10O5/c1-2-26(46)41-24-19-25(30(48)29(24)47)45-20-39-28-31(42-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22)43-32(44-33(28)45)34(49)37-17-18-38-35(50)40-23-13-15-36-16-14-23/h3-12,20,23-25,27,29-30,36,47-48H,2,13-19H2,1H3,(H,37,49)(H,41,46)(H2,38,40,50)(H,42,43,44)/t24-,25+,29+,30-/m0/s1