3-azanyl-4-[4-(2-methyl-1-oxidanylidene-3H-isoindol-5-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4-[4-(2-methyl-1-oxidanylidene-3H-isoindol-5-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-[4-(2-methyl-1-oxo-isoindolin-5-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,4-diazepan-1-yl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-[4-(1-keto-2-methyl-isoindolin-5-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1=O)C=CC(=C2)N3CCCN(CC3)C4=C5C(=C(SC5=NC=C4)C(=O)N)N

Isomeric SMILES

CN1CC2=C(C1=O)C=CC(=C2)N3CCCN(CC3)C4=C5C(=C(SC5=NC=C4)C(=O)N)N

InChI

InChI=1S/C22H24N6O2S/c1-26-12-13-11-14(3-4-15(13)22(26)30)27-7-2-8-28(10-9-27)16-5-6-25-21-17(16)18(23)19(31-21)20(24)29/h3-6,11H,2,7-10,12,23H2,1H3,(H2,24,29)