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

Systemtic Name: 2-[(1-adamantylamino)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-adamantylamino)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-adamantylamino)methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-adamantylamino)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-adamantylamino)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CNC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CNC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H25N3OS2/c1-12-2-3-17(28-12)16-11-27-21-19(16)20(26)24-18(25-21)10-23-22-7-13-4-14(8-22)6-15(5-13)9-22/h2-3,11,13-15,23H,4-10H2,1H3,(H,24,25,26)