2-(azepan-1-ium-1-ylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C19H29N3OS/c1-4-13(2)11-15-14(3)24-19-17(15)18(23)20-16(21-19)12-22-9-7-5-6-8-10-22/h13H,4-12H2,1-3H3,(H,20,21,23)/p+1/t13-/m0/s1