N-[(1R)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(1R)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(1R)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(1R)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(1R)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [(1R)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-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)CC(C2=CC=CC=C2)NC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](C2=CC=CC=C2)NC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H20N4S/c1-2-6-14(7-3-1)16(12-22-9-4-5-10-22)21-17-15-8-11-23-18(15)20-13-19-17/h1-3,6-8,11,13,16H,4-5,9-10,12H2,(H,19,20,21)/p+1/t16-/m0/s1