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

Systemtic Name: 2-[[2-[azaniumylidene(azanyl)methyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[2-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[amino(iminio)methyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[2-[amino(azaniumylidene)methyl]phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[amino(iminio)methyl]benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=[NH2+])N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=[NH2+])N)[O-]

InChI

InChI=1S/C15H18N4OS/c1-2-5-11-8-13(20)19-15(18-11)21-9-10-6-3-4-7-12(10)14(16)17/h3-4,6-8H,2,5,9H2,1H3,(H3,16,17)(H,18,19,20)