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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

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