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

Systemtic Name: (2S)-4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-2-carboxamide Formula: C17H20N5OS2+ MolecularWeight: 374.5036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+]C(C3)C(=O)N)C4=CC=CS4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH2+][C@@H](C3)C(=O)N)C4=CC=CS4)C

InChI

InChI=1S/C17H19N5OS2/c1-9-10(2)25-17-13(9)16(20-15(21-17)12-4-3-7-24-12)22-6-5-19-11(8-22)14(18)23/h3-4,7,11,19H,5-6,8H2,1-2H3,(H2,18,23)/p+1/t11-/m0/s1