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

Systemtic Name: N-[(1S,2R,3S)-4-[2-chloranyl-6-(pentan-3-ylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[2-chloro-6-(pentan-3-ylamino)-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C18H27ClN6O3 MolecularWeight: 410.89838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3CC(C(C3O)O)NC(=O)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN6O3/c1-4-9(5-2)21-16-13-17(24-18(19)23-16)25(8-20-13)11-7-10(14(27)15(11)28)22-12(26)6-3/h8-11,14-15,27-28H,4-7H2,1-3H3,(H,22,26)(H,21,23,24)/t10-,11?,14+,15-/m0/s1