[azanyl-[(4-ethylphenyl)amino]methylidene]-[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]azanium

Systemtic Name: [azanyl-[(4-ethylphenyl)amino]methylidene]-[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]azanium Openeye Name: [amino-(4-ethylanilino)methylene]-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]ammonium CAS Name: [amino-(4-ethylanilino)methylidene]-[4-oxo-6-[(2-pyrimidinylthio)methyl]-1H-pyrimidin-2-yl]ammonium IUPAC Name: [amino-(4-ethylanilino)methylidene]-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]azanium Traditional Name: [amino-(4-ethylanilino)methylene]-[4-keto-6-[(2-pyrimidylthio)methyl]-1H-pyrimidin-2-yl]ammonium Formula: C18H20N7OS+ MolecularWeight: 382.4627

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=[NH+]C2=NC(=O)C=C(N2)CSC3=NC=CC=N3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=[NH+]C2=NC(=O)C=C(N2)CSC3=NC=CC=N3)N

InChI

InChI=1S/C18H19N7OS/c1-2-12-4-6-13(7-5-12)22-16(19)25-17-23-14(10-15(26)24-17)11-27-18-20-8-3-9-21-18/h3-10H,2,11H2,1H3,(H4,19,22,23,24,25,26)/p+1