2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-adamantylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C23H25N3OS/c27-21-20-18(17-4-2-1-3-5-17)13-28-22(20)26-19(25-21)12-24-23-9-14-6-15(10-23)8-16(7-14)11-23/h1-5,13-16,24H,6-12H2,(H,25,26,27)