6-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-ethoxy-indole-1-sulfonic Acid Dimethylamide

HCID 69920552
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Basic information

Standard SMILES
CCOc1cc(Cc2cnc(N)nc2N)cc2c1ccn2S(=O)(=O)N(C)C
InChIKey
ITZISWVWSXPAFX-UHFFFAOYSA-N
Molecular formula
C17H22N6O3S
Average molar mass
390.5 g/mol

Names & identifiers

Preferred name
6-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-ethoxy-indole-1-sulfonic Acid Dimethylamide
IUPAC
6-[(2,4-diaminopyrimidin-5-yl)methyl]-4-ethoxy-N,N-dimethylindole-1-sulfonamide

Names & synonyms

SCHEMBL6862628ITZISWVWSXPAFX-UHFFFAOYSA-N6-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-ethoxy-indole-1-sulfonic Acid Dimethylamide

Database identifiers

PubChem CID
69920552

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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