Basic information
- CAS
13156-56-4- Standard SMILES
Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccccc1)c1c(N)[nH]c(=S)[nH]c1=O- InChIKey
AFCQMXRWCZHURQ-UHFFFAOYSA-N- Molecular formula
- C15H14N6O2S2
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one
- IUPAC
- 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one
- English name
- 6-amino-5-[(6-amino-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(phenyl)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- Molecular formula
- C15H14N6O2S2
- Molecular weight
- 374.44066
Names & synonyms
6-amino-5-[(6-amino-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(phenyl)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-phenylmethyl]-2-sulfanylidene-1H-pyrimidin-4-oneAO-476/40672166
Database identifiers
- CAS
13156-56-4
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 672
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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