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

Systemtic Name: (2R)-4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Traditional Name: (2R)-4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-2-carboxamide Formula: C18H21N6OS+ MolecularWeight: 369.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+]C(C3)C(=O)N)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+][C@H](C3)C(=O)N)C4=CN=CC=C4)C

InChI

InChI=1S/C18H20N6OS/c1-10-11(2)26-18-14(10)17(24-7-6-21-13(9-24)15(19)25)22-16(23-18)12-4-3-5-20-8-12/h3-5,8,13,21H,6-7,9H2,1-2H3,(H2,19,25)/p+1/t13-/m1/s1