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

Systemtic Name: 2-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-benzyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-benzyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N6O2S+ MolecularWeight: 419.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NCC[NH+](C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NCC[NH+](C)C)N

InChI

InChI=1S/C20H30N6O2S/c1-4-5-12-25-17(21)16(18(27)23-19(25)28)26(14-15-9-7-6-8-10-15)20(29)22-11-13-24(2)3/h6-10H,4-5,11-14,21H2,1-3H3,(H,22,29)(H,23,27,28)/p+1