N-aminocarbonyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-aminocarbonyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-carbamoyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-carbamoyl-2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-carbamoyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-carbamoyl-2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C14H11FN6O2S MolecularWeight: 346.339543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC(=O)N)F

InChI

InChI=1S/C14H11FN6O2S/c15-8-1-3-9(4-2-8)21-12-10(5-19-21)13(18-7-17-12)24-6-11(22)20-14(16)23/h1-5,7H,6H2,(H3,16,20,22,23)