2-ethyl-4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H29N7OS MolecularWeight: 439.57696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)C)C

InChI

InChI=1S/C22H29N7OS/c1-4-17-26-16(3)18-15(2)19(31-21(18)27-17)20(30)23-9-6-10-28-11-13-29(14-12-28)22-24-7-5-8-25-22/h5,7-8H,4,6,9-14H2,1-3H3,(H,23,30)