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

Systemtic Name: 3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-propyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-propyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-propyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H31N6O2S+ MolecularWeight: 419.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H30N6O2S/c1-4-12-25(20(29)22-11-8-13-24(2)3)16-17(21)26(19(28)23-18(16)27)14-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-14,21H2,1-3H3,(H,22,29)(H,23,27,28)/p+1