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

Systemtic Name: N-cycloheptyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cycloheptyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cycloheptyl-5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-cycloheptyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cycloheptyl-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5CCCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C(=O)NC5CCCCCC5

InChI

InChI=1S/C25H31N5OS/c1-18-21-23(30-15-13-29(14-16-30)20-11-7-4-8-12-20)26-17-27-25(21)32-22(18)24(31)28-19-9-5-2-3-6-10-19/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3,(H,28,31)