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

Systemtic Name: 6-azanyl-2-(5-methylsulfonyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(5-methylsulfonyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one CAS Name: 6-amino-2-(5-methylsulfonyl-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(5-methylsulfonyl-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(5-mesyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S/c1-3-6-23-10-5-4-8(24(2,21)22)7-9(10)13-16-12(15)11(18-20)14(19)17-13/h4-5,7H,3,6H2,1-2H3,(H3,15,16,17,19)