2-[(1-adamantylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-adamantylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-adamantylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-adamantylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-adamantylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-adamantylamino)methyl]-6-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=C(S5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

InChI

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