3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{4-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,3,5]triazin-2-yl}-urea

HCID 57710293
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Basic information

Standard SMILES
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2ncnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1Cl
InChIKey
CGRBYBGCRDLIJA-UHFFFAOYSA-N
Molecular formula
C24H28Cl2N8O3
Average molar mass
547.4 g/mol
Monoisotopic mass
546.1661422

Names & identifiers

Preferred name
3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{4-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,3,5]triazin-2-yl}-urea
IUPAC
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[4-[4-(4-methylpiperazin-1-yl)anilino]-1,3,5-triazin-2-yl]urea

Names & synonyms

SCHEMBL374988CGRBYBGCRDLIJA-UHFFFAOYSA-N3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{4-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,3,5]triazin-2-yl}-urea

Database identifiers

PubChem CID
57710293

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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