3-(Dimethylamino)-7-(phenylmethyl)isothiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Basic information
- CAS
60664-09-7- Standard SMILES
CN(C)c1snc2c1c(=O)[nH]c(=O)n2Cc1ccccc1- InChIKey
SHFNBPGEWYQNPW-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2S
- Average molar mass
- 302.35 g/mol
- Monoisotopic mass
- 302.08374688
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-7-(phenylmethyl)isothiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- IUPAC
- 7-benzyl-3-(dimethylamino)-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
DTXSID0011354283-(Dimethylamino)-7-(phenylmethyl)isothiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione60664-09-77-Benzyl-3-(dimethylamino)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Database identifiers
- CAS
60664-09-7- PubChem CID
- 12289331
- DTXSID
DTXSID001135428
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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