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

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [4-(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=C(C=C2)CNC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H20N4S/c1-2-9-22(8-1)12-15-5-3-14(4-6-15)11-19-17-16-7-10-23-18(16)21-13-20-17/h3-7,10,13H,1-2,8-9,11-12H2,(H,19,20,21)/p+1