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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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