N-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(phenylmethyl)adamantane-1-carboxamide

Systemtic Name: N-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(phenylmethyl)adamantane-1-carboxamide Openeye Name: N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]adamantane-1-carboxamide CAS Name: N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(phenylmethyl)-1-adamantanecarboxamide IUPAC Name: N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]adamantane-1-carboxamide Traditional Name: N-benzyl-N-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]adamantane-1-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H31N3O2S/c1-16-17(2)33-25-23(16)24(31)28-22(29-25)15-30(14-18-6-4-3-5-7-18)26(32)27-11-19-8-20(12-27)10-21(9-19)13-27/h3-7,19-21H,8-15H2,1-2H3,(H,28,29,31)