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724702-72-1 | 5-(4-methoxyphenyl)-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CAS No: 724702-72-1 Catalog No: AG01FKEE MDL No:
Product Description
Catalog Number:
AG01FKEE
Chemical Name:
5-(4-methoxyphenyl)-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CAS Number:
724702-72-1
Molecular Formula:
C12H10N4O2S
Molecular Weight:
274.2984
IUPAC Name:
5-(4-methoxyphenyl)-6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H10N4O2S/c1-18-8-4-2-7(3-5-8)16-11(17)9-6-13-15-10(9)14-12(16)19/h2-6H,1H3,(H2,13,14,15,19)
InChI Key:
GAPUSCMJOWRXQN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(S)nc2c(c1=O)cn[nH]2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.298g/mol
Monoisotopic Mass:
274.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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