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

Systemtic Name: 4-(azepan-1-yl)-N-(3-chloranyl-2-methyl-phenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azepan-1-yl)-N-(3-chloro-2-methyl-phenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1-azepanyl)-N-(3-chloro-2-methylphenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azepan-1-yl)-N-(3-chloro-2-methyl-phenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

InChI=1S/C21H23ClN4OS/c1-13-15(22)8-7-9-16(13)25-20(27)18-14(2)17-19(23-12-24-21(17)28-18)26-10-5-3-4-6-11-26/h7-9,12H,3-6,10-11H2,1-2H3,(H,25,27)