2-[4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CCO)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CCO)C4=CN=CC=C4)C

InChI

InChI=1S/C19H23N5OS/c1-13-14(2)26-19-16(13)18(24-8-6-23(7-9-24)10-11-25)21-17(22-19)15-4-3-5-20-12-15/h3-5,12,25H,6-11H2,1-2H3/p+1