N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chlorophenyl)-2,5-dimethyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H22ClN5OS/c1-12-16-18(26-9-7-25(3)8-10-26)22-13(2)23-20(16)28-17(12)19(27)24-15-6-4-5-14(21)11-15/h4-6,11H,7-10H2,1-3H3,(H,24,27)