Basic information
- CAS
647825-34-1- Standard SMILES
CSCCNC(=O)c1nc2ccccc2c(=O)n1N- InChIKey
OLKUQBDDZIRVGR-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.08374688
Names & identifiers
- Preferred name
- 3-Amino-N-(2-(methylthio)ethyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
- IUPAC
- 3-amino-N-(2-methylsulfanylethyl)-4-oxoquinazoline-2-carboxamide
Names & synonyms
647825-34-13-amino-N-[2-(methylthio)ethyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide3-Amino-N-(2-(methylthio)ethyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide3-amino-N-(2-methylsulfanylethyl)-4-oxoquinazoline-2-carboxamide3-amino-N-[2-(methylsulfanyl)ethyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamideDTXSID90342603OLKUQBDDZIRVGR-UHFFFAOYSA-N3-Amino-4-oxo-3,4-dihydro-quinazoline-2-carboxamide, (2-methylsulfanyl-ethyl)-3-Amino-N-[2-(methylsulfanyl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinecarboxamide #
Database identifiers
- CAS
647825-34-1- PubChem CID
- 583283
- DTXSID
DTXSID90342603
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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