dimethyl-[2-[[4-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl]azanium Openeye Name: 2-[[4-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo-[4-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl]azanium Traditional Name: 2-[[4-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC[NH+](C)C)N3CCCC3

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC[NH+](C)C)N3CCCC3

InChI

InChI=1S/C23H33N5OS/c1-17(2)20-15-21(28-12-5-6-13-28)26-23(25-20)30-16-18-7-9-19(10-8-18)22(29)24-11-14-27(3)4/h7-10,15,17H,5-6,11-14,16H2,1-4H3,(H,24,29)/p+1