6-azanyl-2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(4-chloro-3-methylphenoxy)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-1H-pyrimidin-4-one Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NC(=O)C=C(N2)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NC(=O)C=C(N2)N)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-8-6-9(2-3-10(8)14)19-4-5-20-13-16-11(15)7-12(18)17-13/h2-3,6-7H,4-5H2,1H3,(H3,15,16,17,18)