6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2,5-dimethylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2,5-dimethylbenzyl)thio]-1H-pyrimidin-4-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H15N3OS/c1-8-3-4-9(2)10(5-8)7-18-13-15-11(14)6-12(17)16-13/h3-6H,7H2,1-2H3,(H3,14,15,16,17)