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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(methylthio)-4-pyrrolidino-thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C18H26N5OS2+ MolecularWeight: 392.56194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5OS2/c1-3-21-8-10-23(11-9-21)17(24)14-12-13-15(22-6-4-5-7-22)19-18(25-2)20-16(13)26-14/h12H,3-11H2,1-2H3/p+1