(4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(methylthio)-4-pyrrolidino-thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C17H24N5OS2+ MolecularWeight: 378.53536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N=C(N=C3S2)SC)N4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N=C(N=C3S2)SC)N4CCCC4

InChI

InChI=1S/C17H23N5OS2/c1-20-7-9-22(10-8-20)16(23)13-11-12-14(21-5-3-4-6-21)18-17(24-2)19-15(12)25-13/h11H,3-10H2,1-2H3/p+1