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

Systemtic Name: (2S)-4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-(5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-(5-methyl-6-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=C(SC2=NC=NC(=C12)N3CC[NH2+]C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-11-14-17(23-8-7-20-13(9-23)16(19)24)21-10-22-18(14)25-15(11)12-5-3-2-4-6-12/h2-6,10,13,20H,7-9H2,1H3,(H2,19,24)/p+1/t13-/m0/s1