(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(4-pyrrolidin-1-ium-1-ylbutyl)azanium

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(4-pyrrolidin-1-ium-1-ylbutyl)azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(4-pyrrolidin-1-ium-1-ylbutyl)ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[4-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(4-pyrrolidin-1-ium-1-ylbutyl)azanium Traditional Name: (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(4-pyrrolidin-1-ium-1-ylbutyl)ammonium Formula: C17H28N4OS+2 MolecularWeight: 336.49542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]CCCC[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]CCCC[NH+]3CCCC3)C

InChI

InChI=1S/C17H26N4OS/c1-12-13(2)23-17-15(12)16(22)19-14(20-17)11-18-7-3-4-8-21-9-5-6-10-21/h18H,3-11H2,1-2H3,(H,19,20,22)/p+2