5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-phenyl-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-phenyl-2-(2-pyrrolidin-1-ium-1-ylethylthio)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H21N4S2+ MolecularWeight: 357.51614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC(=C3C(=CSC3=N2)C4=CC=CC=C4)N

InChI

InChI=1S/C18H20N4S2/c19-16-15-14(13-6-2-1-3-7-13)12-24-17(15)21-18(20-16)23-11-10-22-8-4-5-9-22/h1-3,6-7,12H,4-5,8-11H2,(H2,19,20,21)/p+1