2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;ethanesulfonic acid

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Basic information

CAS: 50508-01-5
Standard SMILES: CCS(=O)(=O)O.CN(C(=O)COc1cccc(N2C(N)=NC(N)=NC2(C)C)c1)c1ccccc1
InChIKey: OXFKUUKRISJXHD-UHFFFAOYSA-N
Molecular formula: C22H30N6O5S
Average molar mass: 490.6 g/mol
Monoisotopic mass: 490.19983925

Names & identifiers

Preferred name: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;ethanesulfonic acid
IUPAC: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenylacetamide;ethanesulfonic acid

Names & synonyms

50508-01-5NSC138485DTXSID30964727NSC-138485DS-0128192-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-methyl-N-phenyl-acetamideEthanesulfonic acid--2-[3-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-N-methyl-N-phenylacetamide (1/1)

Database identifiers

CAS: 50508-01-5
PubChem CID: 283601
DTXSID: DTXSID30964727

Properties

Computed structural properties

Topological polar surface area: 172 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 731

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Compound notes

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