N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H20N4S/c1-2-6-15(12-22-8-3-4-9-22)14(5-1)11-19-17-16-7-10-23-18(16)21-13-20-17/h1-2,5-7,10,13H,3-4,8-9,11-12H2,(H,19,20,21)/p+1