6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(m-tolylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(3-methylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(3-methylbenzyl)thio]-1H-pyrimidin-4-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS/c1-8-3-2-4-9(5-8)7-17-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16)