N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN5O2S/c1-22-16-12(7-20-22)17(25)23(9-19-16)8-15(24)21-13-4-5-26-14-3-2-10(18)6-11(13)14/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,21,24)