
 MLS-0437175.0001

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M  END

>  <Chemical Name>
MLS-0437175.0001

>  <PubChem CID>
45917986

>  <Formula>
C20H18N4

>  <Molecular Weight>
314.392000

>  <IUPAC Name>
7-methyl-2,4-bis(4-methylphenyl)pyrazolo[3,4-d]pyridazine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=NN=C(C3=NN(C=C32)C4=CC=C(C=C4)C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=NN=C(C3=NN(C=C32)C4=CC=C(C=C4)C)C

>  <InChI Std. ID>
InChI=1S/C20H18N4/c1-13-4-8-16(9-5-13)20-18-12-24(17-10-6-14(2)7-11-17)23-19(18)15(3)21-22-20/h4-12H,1-3H3

>  <InChI Key>
FTYRPHUIBDQVCC-UHFFFAOYSA-N

