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

Systemtic Name: 2-(2-oxidanylpropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2-(2-hydroxypropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(2-hydroxypropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2-(2-hydroxypropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2-(2-hydroxypropylamino)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-3-8-26-14-7-5-4-6-12(14)15-21-16-13(17(25)22-15)10-20-18(23-16)19-9-11(2)24/h4-7,10-11,24H,3,8-9H2,1-2H3,(H2,19,20,21,22,23,25)