3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C16H31N6O2S+ MolecularWeight: 371.52134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCC[NH+](C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCC[NH+](C)C)N

InChI

InChI=1S/C16H30N6O2S/c1-5-7-11-22-13(17)12(14(23)19-15(22)24)21(6-2)16(25)18-9-8-10-20(3)4/h5-11,17H2,1-4H3,(H,18,25)(H,19,23,24)/p+1