Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
Basic information
- CAS
108462-16-4- Standard SMILES
Cc1cc(C)c(N=c2cc3n(c(=O)n2C)CCNc2ccccc2-3)c(C)c1.Cl- InChIKey
OAOMGYANFXIVCD-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4O
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1716891
Names & identifiers
- Preferred name
- Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
- IUPAC
- 3-methyl-2-(2,4,6-trimethylphenyl)imino-7,8-dihydro-6H-pyrimido[1,6-d][1,4]benzodiazepin-4-one;hydrochloride
Names & synonyms
108462-16-4Pyrimido(1,6-d)(1,4)benzodiazepin-4(3H)-one, 2,6,7,8-tetrahydro-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochlorideDTXSID809107393-Methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[1,6-d][1,4]benzodiazepin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
108462-16-4- PubChem CID
- 3065637
- DTXSID
DTXSID80910739
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
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Compound notes
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