2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C16H23N4OS2+ MolecularWeight: 351.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C16H22N4OS2/c1-11-12(2)23-16-14(11)15(17-10-18-16)22-9-13(21)20-6-4-5-19(3)7-8-20/h10H,4-9H2,1-3H3/p+1