ethyl 3-[[5-oxidanylidene-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate

Systemtic Name: ethyl 3-[[5-oxidanylidene-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate Openeye Name: ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate CAS Name: 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate Traditional Name: 3-[[5-keto-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propionic acid ethyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-3-11-29-15-8-6-5-7-13(15)17-23-18-14(19(27)24-17)12-22-20(25-18)21-10-9-16(26)28-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H2,21,22,23,24,25,27)