6-azanyl-2-(5-tert-butylsulfanyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-(5-tert-butylsulfanyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(5-tert-butylsulfanyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one CAS Name: 6-amino-2-[5-(tert-butylthio)-2-propoxyphenyl]-5-nitroso-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(5-tert-butylsulfanyl-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[5-(tert-butylthio)-2-propoxy-phenyl]-5-nitroso-1H-pyrimidin-4-one Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)SC(C)(C)C)C2=NC(=O)C(=C(N2)N)N=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)SC(C)(C)C)C2=NC(=O)C(=C(N2)N)N=O

InChI

InChI=1S/C17H22N4O3S/c1-5-8-24-12-7-6-10(25-17(2,3)4)9-11(12)15-19-14(18)13(21-23)16(22)20-15/h6-7,9H,5,8H2,1-4H3,(H3,18,19,20,22)