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

Systemtic Name: 3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H29N6O2S+ MolecularWeight: 405.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O2S/c1-4-24(19(28)21-11-8-12-23(2)3)15-16(20)25(18(27)22-17(15)26)13-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13,20H2,1-3H3,(H,21,28)(H,22,26,27)/p+1