1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride

HCID 66737239
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6cn(C)cn6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl
InChIKey
ZGQHDSCHJQSFKM-GOKCBQHJSA-N
Molecular formula
C38H46ClN13O3
Average molar mass
768.3 g/mol

Names & identifiers

Preferred name
1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride
IUPAC
1-[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-[(1-methylimidazol-4-yl)methyl]urea;hydrochloride

Names & synonyms

SCHEMBL591597ZGQHDSCHJQSFKM-GOKCBQHJSA-N1-((r)-1-{6-(2,2-diphenyl-ethylamino)-9-[(1r,2s,3r,4s)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9h purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1h-imidazol-4-ylmethyl)-urea hydrochloride1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-(1-methyl-1H-imidazol-4-ylmethyl)-urea Hydrochloride

Database identifiers

PubChem CID
66737239

Properties

Computed structural properties

Topological polar surface area
189 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
55

Related reactions

1 records
New reaction record

Compound notes

Loading…