Basic information
- Standard SMILES
CC(=O)OCc1c(-c2cc(Nc3ccnc(C)n3)c(=O)n(C)c2)cccc1N1CCn2c(cc3c2CCCC3)C1=O- InChIKey
GSHIWSNYYOJFBC-UHFFFAOYSA-N- Molecular formula
- C31H32N6O4
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.24850352
Names & identifiers
- Preferred name
- 2-(1-Methyl-5-(2-methylpyrimidin-4-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate
- IUPAC
- [2-[1-methyl-5-[(2-methylpyrimidin-4-yl)amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
Names & synonyms
SCHEMBL10289737GSHIWSNYYOJFBC-UHFFFAOYSA-N2-(1-Methyl-5-(2-methylpyrimidin-4-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate
Database identifiers
- PubChem CID
- 68096541
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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