2-[[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-butylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-butyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C17H33N6O2S+ MolecularWeight: 385.54792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC[NH+](C)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H32N6O2S/c1-6-7-9-22(17(26)19-8-10-21(4)5)13-14(18)23(11-12(2)3)16(25)20-15(13)24/h12H,6-11,18H2,1-5H3,(H,19,26)(H,20,24,25)/p+1