(2S)-4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH2+]C(C4)C(=O)N

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH2+][C@@H](C4)C(=O)N

InChI

InChI=1S/C18H19N5OS/c1-11-21-17(23-8-7-20-14(9-23)16(19)24)15-13(10-25-18(15)22-11)12-5-3-2-4-6-12/h2-6,10,14,20H,7-9H2,1H3,(H2,19,24)/p+1/t14-/m0/s1