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

Systemtic Name: 6-azanyl-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2,4,5-trimethylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2,4,5-trimethylbenzyl)thio]-1H-pyrimidin-4-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CSC2=NC(=O)C=C(N2)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CSC2=NC(=O)C=C(N2)N)C

InChI

InChI=1S/C14H17N3OS/c1-8-4-10(3)11(5-9(8)2)7-19-14-16-12(15)6-13(18)17-14/h4-6H,7H2,1-3H3,(H3,15,16,17,18)