3-azanyl-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-[4-(4-dimethylaminophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2CCCN(CC2)C3=C4C(=C(SC4=NC=C3)C(=O)N)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2CCCN(CC2)C3=C4C(=C(SC4=NC=C3)C(=O)N)N

InChI

InChI=1S/C21H26N6OS/c1-25(2)14-4-6-15(7-5-14)26-10-3-11-27(13-12-26)16-8-9-24-21-17(16)18(22)19(29-21)20(23)28/h4-9H,3,10-13,22H2,1-2H3,(H2,23,28)