Basic information
- CAS
74346-17-1- Standard SMILES
CN(Cc1c[nH]c2nc(N)nc(N)c2c1=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1- InChIKey
NFAFFHBOZVRJFB-UHFFFAOYSA-N- Molecular formula
- C21H23N7O6
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.17098148
Names & identifiers
- Preferred name
- 2-[[4-[(2,4-diamino-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
- IUPAC
- 2-[[4-[(2,4-diamino-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC34424174346-17-1DTXSID00419552NSC-344241N-(4-{[(2,4-Diamino-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid
Database identifiers
- CAS
74346-17-1- PubChem CID
- 5384580
- DTXSID
DTXSID00419552
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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