5-azanyl-1-ethyl-2-methylsulfanyl-4-phenyl-1-pyrrolidin-1-yl-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate

Systemtic Name: 5-azanyl-1-ethyl-2-methylsulfanyl-4-phenyl-1-pyrrolidin-1-yl-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Openeye Name: 5-amino-1-ethyl-2-methylsulfanyl-4-phenyl-1-pyrrolidin-1-yl-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate CAS Name: 5-amino-1-ethyl-2-(methylthio)-4-phenyl-1-(1-pyrrolidinyl)-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate IUPAC Name: 5-amino-1-ethyl-2-methylsulfanyl-4-phenyl-1-pyrrolidin-1-yl-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Traditional Name: 5-amino-1-ethyl-2-(methylthio)-4-phenyl-1-pyrrolidino-7aH-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)[O-])N)N4CCCC4

Isomeric SMILES

CC[N+]1(C2C(=C(N=C1SC)C3=CC=CC=C3)C(=C(S2)C(=O)[O-])N)N4CCCC4

InChI

InChI=1S/C20H24N4O2S2/c1-3-24(23-11-7-8-12-23)18-14(15(21)17(28-18)19(25)26)16(22-20(24)27-2)13-9-5-4-6-10-13/h4-6,9-10,18H,3,7-8,11-12,21H2,1-2H3