Basic information
- CAS
51123-83-2- Standard SMILES
Nc1nc(N)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1- InChIKey
GBVQWZXJDIIUCC-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.08374669
Overview
structure
Names & identifiers
- Preferred name
- 6-(2-Naphthalenylsulfonyl)-2,4-quinazolinediamine
- IUPAC
- 6-naphthalen-2-ylsulfonylquinazoline-2,4-diamine
Names & synonyms
51123-83-2WR 158122WR-1581223LR92USV182,4-Quinazolinediamine, 6-(2-naphthalenylsulfonyl)-WR-158,122DTXSID401991442,4-Diamino-6-(2-naphthyl-sulfonyl)-quinazolineWR 158,122RefChem:913745DTXCID701216356-(2-Naphthalenylsulfonyl)-2,4-quinazolinediamine
Show more names
2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline6-naphthalen-2-ylsulfonylquinazoline-2,4-diamineMLS002920661TCMDC-137192NSC-157388SMR0017982482,4-Diamino-6-(2-naphthylsulfonyl)quinazolineNSC 157388
Database identifiers
- CAS
51123-83-2- PubChem CID
- 98652
- DTXSID
DTXSID40199144- ChEMBL
CHEMBL268584- UNII
- 3LR92USV18
- Nikkaji
- J73.016E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Related reactions
4 records
Compound notes
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