(+/-)-3-(3-(4-methoxy-phenyl)-4-methyl-7-{3-[2-(4-methyl-piperazin-1-yl)-ethyl]-phenylamino}-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl)-benzamide
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Basic information
- Standard SMILES
COc1ccc(N2C(=O)N(c3cccc(C(N)=O)c3)c3nc(Nc4cccc(CCN5CCN(C)CC5)c4)ncc3C2C)cc1- InChIKey
MPQORNKUZPRYAL-UHFFFAOYSA-N- Molecular formula
- C34H38N8O3
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.3066871
Names & identifiers
- Preferred name
- (+/-)-3-(3-(4-methoxy-phenyl)-4-methyl-7-{3-[2-(4-methyl-piperazin-1-yl)-ethyl]-phenylamino}-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl)-benzamide
- IUPAC
- 3-[3-(4-methoxyphenyl)-4-methyl-7-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzamide
Names & synonyms
SCHEMBL4685951MPQORNKUZPRYAL-UHFFFAOYSA-N(+/-)-3-(3-(4-methoxy-phenyl)-4-methyl-7-{3-[2-(4-methyl-piperazin-1-yl)-ethyl]-phenylamino}-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl)-benzamide
Database identifiers
- PubChem CID
- 9986131
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 986
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Related reactions
2 records
Compound notes
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