[4-(butan-2-ylamino)-1-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone

Systemtic Name: [4-(butan-2-ylamino)-1-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone Openeye Name: [1-(2-furylmethyl)-4-(sec-butylamino)pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone CAS Name: [4-(butan-2-ylamino)-1-(2-furanylmethyl)-5-pyrazolo[3,4-b]pyridinyl]-phenylmethanone IUPAC Name: [4-(butan-2-ylamino)-1-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-phenylmethanone Traditional Name: [1-(2-furfuryl)-4-(sec-butylamino)pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C2C=NN(C2=NC=C1C(=O)C3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CCC(C)NC1=C2C=NN(C2=NC=C1C(=O)C3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C22H22N4O2/c1-3-15(2)25-20-18(21(27)16-8-5-4-6-9-16)12-23-22-19(20)13-24-26(22)14-17-10-7-11-28-17/h4-13,15H,3,14H2,1-2H3,(H,23,25)