[(2S)-2-methylsulfanyl-6-oxidanylidene-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-2-methylsulfanyl-6-oxidanylidene-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]azaniumyl]ethyl]azanium

Systemtic Name: [(2S)-2-methylsulfanyl-6-oxidanylidene-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-2-methylsulfanyl-6-oxidanylidene-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]azaniumyl]ethyl]azanium Openeye Name: [(2S)-2-methylsulfanyl-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-2-methylsulfanyl-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]ammonio]ethyl]ammonium CAS Name: [(2S)-2-(methylthio)-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-2-(methylthio)-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]ammonio]ethyl]ammonium IUPAC Name: [(2S)-2-methylsulfanyl-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-2-methylsulfanyl-6-oxo-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]azaniumyl]ethyl]azanium Traditional Name: [(2S)-6-keto-2-(methylthio)-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]-[2-[[(2R)-6-keto-2-(methylthio)-4-propyl-1,5-dihydropyrimidin-3-ium-2-yl]ammonio]ethyl]ammonium Formula: C18H36N6O2S2+4 MolecularWeight: 432.64744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[NH+]C(NC(=O)C1)([NH2+]CC[NH2+]C2(NC(=O)CC(=[NH+]2)CCC)SC)SC

Isomeric SMILES

CCCC1=[NH+][C@](NC(=O)C1)([NH2+]CC[NH2+][C@@]2(NC(=O)CC(=[NH+]2)CCC)SC)SC

InChI

InChI=1S/C18H32N6O2S2/c1-5-7-13-11-15(25)23-17(21-13,27-3)19-9-10-20-18(28-4)22-14(8-6-2)12-16(26)24-18/h19-20H,5-12H2,1-4H3,(H,23,25)(H,24,26)/p+4/t17-,18+