N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]adamantane-1-carbohydrazide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-11-12(2)29-19-17(11)18(22-10-23-19)28-9-16(26)24-25-20(27)21-6-13-3-14(7-21)5-15(4-13)8-21/h10,13-15H,3-9H2,1-2H3,(H,24,26)(H,25,27)