2-(3-methylsulfonylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2-(3-methylsulfonylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2-(3-methylsulfonylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(3-methylsulfonylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2-(3-methylsulfonylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2-(3-mesylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=CN=C(N=C3N2)NCCCS(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=CN=C(N=C3N2)NCCCS(=O)(=O)C

InChI

InChI=1S/C19H23N5O4S/c1-3-10-28-15-8-5-4-7-13(15)16-22-17-14(18(25)23-16)12-21-19(24-17)20-9-6-11-29(2,26)27/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,20,21,22,23,24,25)