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

Systemtic Name: 2-(azepan-1-ylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ylmethyl)-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ylmethyl)-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCCCCC4)C

InChI

InChI=1S/C21H25N3OS/c1-14-7-9-16(10-8-14)18-15(2)26-21-19(18)20(25)22-17(23-21)13-24-11-5-3-4-6-12-24/h7-10H,3-6,11-13H2,1-2H3,(H,22,23,25)