5-azanyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide

Systemtic Name: 5-azanyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Openeye Name: 5-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide CAS Name: 5-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide IUPAC Name: 5-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxamide Traditional Name: 5-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)C(=O)NC3=C4C=NNC4=NC=C3)SC1)N

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)C(=O)NC3=C4C=NNC4=NC=C3)SC1)N

InChI

InChI=1S/C17H17N5OS/c18-13-2-1-7-24-15-8-10(3-4-11(13)15)17(23)21-14-5-6-19-16-12(14)9-20-22-16/h3-6,8-9,13H,1-2,7,18H2,(H2,19,20,21,22,23)