1-(2-Chloro-ethyl)-3-[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-methylsulfonyl-phenyl]urea

HCID 59286142

Completing data — usually done within a minute

Basic information

CAS
1044272-57-2
Standard SMILES
CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)NCCCl)cc(S(C)(=O)=O)c3)nc21
InChIKey
NOWOACIATXQYFL-UHFFFAOYSA-N
Molecular formula
C20H26ClN7O4S
Average molar mass
496 g/mol
Monoisotopic mass
495.1455512

Names & identifiers

Preferred name
1-(2-Chloro-ethyl)-3-[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-methylsulfonyl-phenyl]urea
IUPAC
1-(2-chloroethyl)-3-[3-[(5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)amino]-5-methylsulfonylphenyl]urea

Names & synonyms

SCHEMBL2875046NOWOACIATXQYFL-UHFFFAOYSA-NDTXSID2011033321-(2-chloro-ethyl)-3-[3-(8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-methylsulfonyl-phenyl]urea1044272-57-2N-(2-Chloroethyl)-Na(2)-[3-(methylsulfonyl)-5-[[5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]phenyl]urea

Database identifiers

CAS
1044272-57-2
PubChem CID
59286142
DTXSID
DTXSID201103332

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
145 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records

Compound notes

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