6-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-tert-butylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-tert-butylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-tert-butylbenzyl)thio]-1H-pyrimidin-4-one Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19)