2-[4-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide

Systemtic Name: 2-[4-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide Openeye Name: 2-[4-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide CAS Name: 2-[[4-(methylamino)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]hexanamide IUPAC Name: 2-[4-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylhexanamide Traditional Name: 2-[[4-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]hexanamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC

Isomeric SMILES

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC

InChI

InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)