2,4-Diamino-quinazoline-6-sulfonic acid (2-diethylamino-ethyl)-methyl-amide

HCID 516573

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Basic information

CAS: 92144-23-5
Standard SMILES: CCN(CC)CCN(C)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1
InChIKey: ZASPIZCAIKPDBK-UHFFFAOYSA-N
Molecular formula: C15H24N6O2S
Average molar mass: 352.5 g/mol
Monoisotopic mass: 352.1681452

Names & identifiers

Preferred name: 2,4-Diamino-quinazoline-6-sulfonic acid (2-diethylamino-ethyl)-methyl-amide
IUPAC: 2,4-diamino-N-[2-(diethylamino)ethyl]-N-methylquinazoline-6-sulfonamide

Names & synonyms

92144-23-52,4-Diamino-quinazoline-6-sulfonic acid (2-diethylamino-ethyl)-methyl-amideCHEMBL296656DTXSID102388922,4-diamino-N-[2-(diethylamino)ethyl]-N-methylquinazoline-6-sulfonamide2,4-diamino-N-(2-diethylaminoethyl)-N-methyl-quinazoline-6-sulfonamide

Database identifiers

CAS: 92144-23-5
PubChem CID: 516573
DTXSID: DTXSID10238892
ChEMBL: CHEMBL296656

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 493

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