6-azanyl-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(4-tert-butylphenoxy)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(4-tert-butylphenoxy)ethylthio]-1H-pyrimidin-4-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)11-4-6-12(7-5-11)21-8-9-22-15-18-13(17)10-14(20)19-15/h4-7,10H,8-9H2,1-3H3,(H3,17,18,19,20)