6-(1-adamantyl)-3-azanyl-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 6-(1-adamantyl)-3-azanyl-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 6-(1-adamantyl)-3-amino-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 6-(1-adamantyl)-3-amino-N-(3,4-dimethoxyphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 6-(1-adamantyl)-3-amino-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 6-(1-adamantyl)-3-amino-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C45CC6CC(C4)CC(C6)C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C45CC6CC(C4)CC(C6)C5)N)OC

InChI

InChI=1S/C26H29N3O3S/c1-31-19-5-3-17(10-20(19)32-2)28-24(30)23-22(27)18-4-6-21(29-25(18)33-23)26-11-14-7-15(12-26)9-16(8-14)13-26/h3-6,10,14-16H,7-9,11-13,27H2,1-2H3,(H,28,30)