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

Systemtic Name: [6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone CAS Name: [6-(1-adamantyl)-3-amino-2-thieno[2,3-b]pyridinyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-(1-adamantyl)-3-aminothieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-29-18-4-2-17(3-5-18)22(28)23-21(26)19-6-7-20(27-24(19)30-23)25-11-14-8-15(12-25)10-16(9-14)13-25/h2-7,14-16H,8-13,26H2,1H3