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

Systemtic Name: 3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-methyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-methyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2S/c1-22(2)11-7-10-20-18(27)23(3)14-15(19)24(17(26)21-16(14)25)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12,19H2,1-3H3,(H,20,27)(H,21,25,26)/p+1