1-[2-(1-adamantylcarbonyl)-3-azanyl-6-methyl-thieno[2,3-b]pyridin-5-yl]ethanone

Systemtic Name: 1-[2-(1-adamantylcarbonyl)-3-azanyl-6-methyl-thieno[2,3-b]pyridin-5-yl]ethanone Openeye Name: 1-[2-(adamantane-1-carbonyl)-3-amino-6-methyl-thieno[2,3-b]pyridin-5-yl]ethanone CAS Name: 1-[2-[1-adamantyl(oxo)methyl]-3-amino-6-methyl-5-thieno[2,3-b]pyridinyl]ethanone IUPAC Name: 1-[2-(adamantane-1-carbonyl)-3-amino-6-methylthieno[2,3-b]pyridin-5-yl]ethanone Traditional Name: 1-[2-(adamantane-1-carbonyl)-3-amino-6-methyl-thieno[2,3-b]pyridin-5-yl]ethanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(SC2=N1)C(=O)C34CC5CC(C3)CC(C5)C4)N)C(=O)C

Isomeric SMILES

CC1=C(C=C2C(=C(SC2=N1)C(=O)C34CC5CC(C3)CC(C5)C4)N)C(=O)C

InChI

InChI=1S/C21H24N2O2S/c1-10-15(11(2)24)6-16-17(22)18(26-20(16)23-10)19(25)21-7-12-3-13(8-21)5-14(4-12)9-21/h6,12-14H,3-5,7-9,22H2,1-2H3