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

Systemtic Name: 5,6-bis(azanyl)-2-[5-(2-methylpropylsulfonyl)-2-propoxy-phenyl]-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one Formula: C17H24N4O4S MolecularWeight: 380.46186

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4S/c1-4-7-25-13-6-5-11(26(23,24)9-10(2)3)8-12(13)16-20-15(19)14(18)17(22)21-16/h5-6,8,10H,4,7,9,18H2,1-3H3,(H3,19,20,21,22)