N'-[2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]adamantane-1-carbohydrazide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H26N4O3S/c1-10-11(2)29-19-17(10)18(27)22-15(23-19)6-16(26)24-25-20(28)21-7-12-3-13(8-21)5-14(4-12)9-21/h12-14H,3-9H2,1-2H3,(H,24,26)(H,25,28)(H,22,23,27)