N-[(1S,2R,3S)-4-[2-[2-(1-ethylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide

Systemtic Name: N-[(1S,2R,3S)-4-[2-[2-(1-ethylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[2-[2-(1-ethylimidazol-4-yl)ethylamino]-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[2-[2-(1-ethyl-4-imidazolyl)ethylamino]-6-(pentan-3-ylamino)-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[2-[2-(1-ethylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[2-[2-(1-ethylimidazol-4-yl)ethylamino]-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C25H39N9O3 MolecularWeight: 513.63566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3CC(C(C3O)O)NC(=O)CC)NCCC4=CN(C=N4)CC

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C[C@@H]([C@H]([C@H]3O)O)NC(=O)CC)NCCC4=CN(C=N4)CC

InChI

InChI=1S/C25H39N9O3/c1-5-15(6-2)29-23-20-24(32-25(31-23)26-10-9-16-12-33(8-4)13-27-16)34(14-28-20)18-11-17(21(36)22(18)37)30-19(35)7-3/h12-15,17-18,21-22,36-37H,5-11H2,1-4H3,(H,30,35)(H2,26,29,31,32)/t17-,18?,21+,22-/m0/s1