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

Systemtic Name: N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxydibenzofuran-3-yl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-3-dibenzofuranyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-methoxydibenzofuran-3-yl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC

InChI

InChI=1S/C27H21N5O3S/c1-16-7-9-17(10-8-16)32-26-20(13-30-32)27(29-15-28-26)36-14-25(33)31-21-12-23-19(11-24(21)34-2)18-5-3-4-6-22(18)35-23/h3-13,15H,14H2,1-2H3,(H,31,33)