7-(6-piperazin-1-ylpyrazolo[3,4-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-(6-piperazin-1-ylpyrazolo[3,4-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-(6-piperazin-1-ylpyrazolo[3,4-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 7-[[6-(1-piperazinyl)-1-pyrazolo[3,4-b]pyridinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-(6-piperazin-1-ylpyrazolo[3,4-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-(6-piperazinopyrazolo[3,4-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C=C2)C=NN3S(=O)(=O)C4=CC5=C(C=C4)NC(=O)CO5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C=C2)C=NN3S(=O)(=O)C4=CC5=C(C=C4)NC(=O)CO5

InChI

InChI=1S/C18H18N6O4S/c25-17-11-28-15-9-13(2-3-14(15)21-17)29(26,27)24-18-12(10-20-24)1-4-16(22-18)23-7-5-19-6-8-23/h1-4,9-10,19H,5-8,11H2,(H,21,25)