2-[[4-[azaniumylidene(azanyl)methyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[azaniumylidene(azanyl)methyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[4-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-[amino(iminio)methyl]phenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[4-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-[amino(iminio)methyl]benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=[NH2+])N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=[NH2+])N)[O-]

InChI

InChI=1S/C13H14N4OS/c1-8-6-11(18)17-13(16-8)19-7-9-2-4-10(5-3-9)12(14)15/h2-6H,7H2,1H3,(H3,14,15)(H,16,17,18)