2-[4-(6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[6-methyl-5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C27H31N6OS+ MolecularWeight: 487.63964

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CN=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CN=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c1-3-11-29-22(34)18-32-13-15-33(16-14-32)26-24-23(20-8-5-4-6-9-20)19(2)35-27(24)31-25(30-26)21-10-7-12-28-17-21/h4-10,12,17H,3,11,13-16,18H2,1-2H3,(H,29,34)/p+1