2-[[3-[azaniumylidene(azanyl)methyl]phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[3-[azaniumylidene(azanyl)methyl]phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[3-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[3-[amino(iminio)methyl]phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[3-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[3-[amino(iminio)methyl]benzyl]thio]pyrimidin-4-olate Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CC(=N2)[O-])C(=[NH2+])N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CC(=N2)[O-])C(=[NH2+])N

InChI

InChI=1S/C12H12N4OS/c13-11(14)9-3-1-2-8(6-9)7-18-12-15-5-4-10(17)16-12/h1-6H,7H2,(H3,13,14)(H,15,16,17)