6-azanyl-2-[5-(2-methylpropylsulfonyl)-2-propoxy-phenyl]-5-nitroso-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[5-(2-methylpropylsulfonyl)-2-propoxy-phenyl]-5-nitroso-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one CAS Name: 6-amino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]-5-nitroso-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]-5-nitroso-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)-5-nitroso-1H-pyrimidin-4-one Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-4-7-26-13-6-5-11(27(24,25)9-10(2)3)8-12(13)16-19-15(18)14(21-23)17(22)20-16/h5-6,8,10H,4,7,9H2,1-3H3,(H3,18,19,20,22)