dimethyl-[(1S)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C19H26N4O2S/c1-4-8-15-11-17(24)22-19(21-15)26-13-18(25)20-12-16(23(2)3)14-9-6-5-7-10-14/h5-7,9-11,16H,4,8,12-13H2,1-3H3,(H,20,25)(H,21,22,24)/p+1/t16-/m1/s1