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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC=NC5=C4C=NN5CC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC=NC5=C4C=NN5CC6=CC=CC=C6

InChI

InChI=1S/C27H21N5O3S/c1-34-24-11-19-18-9-5-6-10-22(18)35-23(19)12-21(24)31-25(33)15-36-27-20-13-30-32(26(20)28-16-29-27)14-17-7-3-2-4-8-17/h2-13,16H,14-15H2,1H3,(H,31,33)