Basic information
- Standard SMILES
Nc1c(Cl)ncnc1N[C@@H]1C=C[C@H](CO)C1.OC[C@H]1C=C[C@@H](n2cnc3c(Cl)ncnc32)C1- InChIKey
BSBCRUBWVAPTFH-LAYJTVFSSA-N- Molecular formula
- C21H24Cl2N8O2
- Average molar mass
- 491.4 g/mol
- Monoisotopic mass
- 490.1399274
Names & identifiers
- Preferred name
- (1R,4S)-4-(6-Chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol (1R,4S)-4-[(5-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
- IUPAC
- [(1R,4S)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol;[(1R,4S)-4-(6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol
Names & synonyms
BSBCRUBWVAPTFH-LAYJTVFSSA-N(1R,4S)-4-(6-Chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol (1R,4S)-4-[(5-Amino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
Database identifiers
- PubChem CID
- 86759192
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Compound notes
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