N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-azanylcyclopentyl]amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide

Systemtic Name: N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-azanylcyclopentyl]amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-aminocyclopentyl]amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-aminocyclopentyl]amino]-6-(2,2-diphenylethylamino)-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-aminocyclopentyl]amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[2-[[(1R,3R)-3-aminocyclopentyl]amino]-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C32H40N8O3 MolecularWeight: 584.7118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)NC6CCC(C6)N

Isomeric SMILES

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)N[C@@H]6CC[C@H](C6)N

InChI

InChI=1S/C32H40N8O3/c1-2-26(41)37-24-16-25(29(43)28(24)42)40-18-35-27-30(38-32(39-31(27)40)36-22-14-13-21(33)15-22)34-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-25,28-29,42-43H,2,13-17,33H2,1H3,(H,37,41)(H2,34,36,38,39)/t21-,22-,24+,25?,28-,29+/m1/s1