[(5R)-1-[(2R)-butan-2-yl]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: [(5R)-1-[(2R)-butan-2-yl]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: 2-(1H-indol-3-yl)ethyl-[[(5R)-1-[(1R)-1-methylpropyl]-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methylene]ammonium CAS Name: [(5R)-1-[(2R)-butan-2-yl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: [(5R)-1-[(2R)-butan-2-yl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylidene-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: [(5R)-4,6-diketo-1-[(1R)-1-methylpropyl]-2-thioxo-hexahydropyrimidin-5-yl]methylene-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(C(=O)NC1=S)C=[NH+]CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC[C@@H](C)N1C(=O)[C@@H](C(=O)NC1=S)C=[NH+]CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H22N4O2S/c1-3-12(2)23-18(25)15(17(24)22-19(23)26)11-20-9-8-13-10-21-16-7-5-4-6-14(13)16/h4-7,10-12,15,21H,3,8-9H2,1-2H3,(H,22,24,26)/p+1/t12-,15-/m1/s1