5,6-bis(azanyl)-2-(5-propan-2-ylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-(5-propan-2-ylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-(5-isopropylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-(5-propan-2-ylsulfonyl-2-propoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-(5-propan-2-ylsulfonyl-2-propoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-(5-isopropylsulfonyl-2-propoxy-phenyl)-1H-pyrimidin-4-one Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-4-7-24-12-6-5-10(25(22,23)9(2)3)8-11(12)15-19-14(18)13(17)16(21)20-15/h5-6,8-9H,4,7,17H2,1-3H3,(H3,18,19,20,21)