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

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(1-pyrrolidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H26N3OS+ MolecularWeight: 320.47284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCC3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCC3)C

InChI

InChI=1S/C17H25N3OS/c1-4-11(2)9-13-12(3)22-17-15(13)16(21)18-14(19-17)10-20-7-5-6-8-20/h11H,4-10H2,1-3H3,(H,18,19,21)/p+1/t11-/m0/s1