9-[(1R,2S,3R,4S)-4-acetamido-2,3-bis(oxidanyl)cyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide

Systemtic Name: 9-[(1R,2S,3R,4S)-4-acetamido-2,3-bis(oxidanyl)cyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide Openeye Name: 9-[(1R,2S,3R,4S)-4-acetamido-2,3-dihydroxy-cyclopentyl]-6-(benzhydrylamino)-N-[2-[[1-(2-pyridyl)-4-piperidyl]carbamoylamino]ethyl]purine-2-carboxamide CAS Name: 9-[(1R,2S,3R,4S)-4-acetamido-2,3-dihydroxycyclopentyl]-6-[(diphenylmethyl)amino]-N-[2-[[oxo-[[1-(2-pyridinyl)-4-piperidinyl]amino]methyl]amino]ethyl]-2-purinecarboxamide IUPAC Name: 9-[(1R,2S,3R,4S)-4-acetamido-2,3-dihydroxycyclopentyl]-6-(benzhydrylamino)-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide Traditional Name: 9-[(1R,2S,3R,4S)-4-acetamido-2,3-dihydroxy-cyclopentyl]-6-(benzhydrylamino)-N-[2-[[1-(2-pyridyl)-4-piperidyl]carbamoylamino]ethyl]purine-2-carboxamide Formula: C39H45N11O5 MolecularWeight: 747.8453

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCNC(=O)NC6CCN(CC6)C7=CC=CC=N7

Isomeric SMILES

CC(=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)NC6CCN(CC6)C7=CC=CC=N7

InChI

InChI=1S/C39H45N11O5/c1-24(51)44-28-22-29(34(53)33(28)52)50-23-43-32-35(46-31(25-10-4-2-5-11-25)26-12-6-3-7-13-26)47-36(48-37(32)50)38(54)41-18-19-42-39(55)45-27-15-20-49(21-16-27)30-14-8-9-17-40-30/h2-14,17,23,27-29,31,33-34,52-53H,15-16,18-22H2,1H3,(H,41,54)(H,44,51)(H2,42,45,55)(H,46,47,48)/t28-,29+,33+,34-/m0/s1