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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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