4-[6-azanyl-2-(phenethylamino)purin-9-yl]-N-ethyl-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: 4-[6-azanyl-2-(phenethylamino)purin-9-yl]-N-ethyl-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: 4-[6-amino-2-(phenethylamino)purin-9-yl]-N-ethyl-2,3-dihydroxy-cyclopentanecarboxamide CAS Name: 4-[6-amino-2-(phenethylamino)-9-purinyl]-N-ethyl-2,3-dihydroxy-1-cyclopentanecarboxamide IUPAC Name: 4-[6-amino-2-(phenethylamino)purin-9-yl]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide Traditional Name: 4-[6-amino-2-(phenethylamino)purin-9-yl]-N-ethyl-2,3-dihydroxy-cyclopentanecarboxamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H27N7O3/c1-2-23-20(31)13-10-14(17(30)16(13)29)28-11-25-15-18(22)26-21(27-19(15)28)24-9-8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17,29-30H,2,8-10H2,1H3,(H,23,31)(H3,22,24,26,27)