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

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O2S/c1-23-17-13(9-21-23)18(26)24(10-20-17)6-4-16(25)22-14-5-7-27-15-3-2-11(19)8-12(14)15/h2-3,8-10,14H,4-7H2,1H3,(H,22,25)