4-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3,4-dimethylphenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C)C

InChI

InChI=1S/C22H26N4OS/c1-14-8-9-17(12-15(14)2)25-21(27)19-16(3)18-20(23-13-24-22(18)28-19)26-10-6-4-5-7-11-26/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,25,27)