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

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-thiochroman-4-yl-propanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-thiochroman-4-yl-propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C18H19N5O2S/c1-22-17-13(10-20-22)18(25)23(11-19-17)8-6-16(24)21-14-7-9-26-15-5-3-2-4-12(14)15/h2-5,10-11,14H,6-9H2,1H3,(H,21,24)