[6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [6-(1-adamantyl)-3-amino-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [6-(1-adamantyl)-3-aminothieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28N2O3S/c1-30-19-5-3-17(10-20(19)31-2)23(29)24-22(27)18-4-6-21(28-25(18)32-24)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