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

Systemtic Name: N'-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoyl]adamantane-1-carbohydrazide CAS Name: N'-[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]adamantane-1-carbohydrazide Traditional Name: N'-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]adamantane-1-carbohydrazide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-12-13(2)30-19-18(12)20(28)26(11-23-19)4-3-17(27)24-25-21(29)22-8-14-5-15(9-22)7-16(6-14)10-22/h11,14-16H,3-10H2,1-2H3,(H,24,27)(H,25,29)