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

Systemtic Name: 2-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(furan-2-ylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-(2-furylmethyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-(2-furfuryl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H29N6O3S+ MolecularWeight: 409.52626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NCC[NH+](C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=S)NCC[NH+](C)C)N

InChI

InChI=1S/C18H28N6O3S/c1-4-5-9-23-15(19)14(16(25)21-17(23)26)24(12-13-7-6-11-27-13)18(28)20-8-10-22(2)3/h6-7,11H,4-5,8-10,12,19H2,1-3H3,(H,20,28)(H,21,25,26)/p+1