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

Systemtic Name: N-[(1S,2R,3S)-4-[2-chloranyl-6-(3,3-diphenylpropylamino)purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[2-chloro-6-(3,3-diphenylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[2-chloro-6-(3,3-diphenylpropylamino)-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[2-chloro-6-(3,3-diphenylpropylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[2-chloro-6-(3,3-diphenylpropylamino)purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C28H31ClN6O3 MolecularWeight: 535.03714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C2N=C(N=C3NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H31ClN6O3/c1-2-22(36)32-20-15-21(25(38)24(20)37)35-16-31-23-26(33-28(29)34-27(23)35)30-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-21,24-25,37-38H,2,13-15H2,1H3,(H,32,36)(H,30,33,34)/t20-,21?,24+,25-/m0/s1