2-[(1-adamantylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-adamantylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-adamantylamino)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-adamantylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-adamantylamino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-adamantylamino)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C25H29N3OS/c1-14-3-5-19(6-4-14)21-15(2)30-24-22(21)23(29)27-20(28-24)13-26-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,16-18,26H,7-13H2,1-2H3,(H,27,28,29)