Basic information
- Standard SMILES
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2n1- InChIKey
YGXJSXPQWMYNEJ-UHFFFAOYSA-N- Molecular formula
- C17H14N4OS
- Average molar mass
- 322.4 g/mol
Overview
nonclassical antifolate; structure given in first source
Names & identifiers
- Preferred name
- 2,4-Diamino-5-((2-naphthylthio)methyl)furo(2,3-d)pyrimidine
- IUPAC
- 5-(naphthalen-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
dnmf-pyrimidineRefChem:9087282,4-diamino-5-((2-naphthylthio)methyl)furo(2,3-d)pyrimidineCHEMBL2833115-(Naphthalen-2-ylsulfanylmethyl)-furo[2,3-d]pyrimidine-2,4-diamineSCHEMBL63121225-(naphthalen-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamineBDBM500639935-(2-naphthylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamine5-((naphthalen-2-ylthio)methyl)furo[2,3-d]pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 478874
- ChEMBL
CHEMBL283311- Nikkaji
- J952.515G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
1 records
Compound notes
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