4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylazaniumyl]butyl-diethyl-azanium

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylazaniumyl]butyl-diethyl-azanium Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylammonio]butyl-diethyl-ammonium CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylammonio]butyl-diethylammonium IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylazaniumyl]butyl-diethylazanium Traditional Name: diethyl-[4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylammonio]butyl]ammonium Formula: C17H30N4OS+2 MolecularWeight: 338.5113

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1

Isomeric SMILES

CC[NH+](CC)CCCC[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1

InChI

InChI=1S/C17H28N4OS/c1-5-21(6-2)10-8-7-9-18-11-14-19-16(22)15-12(3)13(4)23-17(15)20-14/h18H,5-11H2,1-4H3,(H,19,20,22)/p+2