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

HCID 284232

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50508-10-6
Standard SMILES: CCN(CC)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.CCS(=O)(=O)O
InChIKey: VDIKGGCQWDRGAV-UHFFFAOYSA-N
Molecular formula: C20H34N6O4S
Average molar mass: 454.6 g/mol
Monoisotopic mass: 454.23622476

Names & identifiers

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

Names & synonyms

50508-10-6NSC140021DTXSID20964731NSC-140021DS-0140563-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethyl-propanamideEthanesulfonic acid--3-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]-N,N-diethylpropanamide (1/1)

Database identifiers

CAS: 50508-10-6
PubChem CID: 284232
DTXSID: DTXSID20964731

Properties

Computed structural properties

Topological polar surface area: 163 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 635

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…