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

Systemtic Name: 3-[[5-oxidanylidene-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoic acid Openeye Name: 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoic acid CAS Name: 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoic acid IUPAC Name: 3-[[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoic acid Traditional Name: 3-[[5-keto-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propionic acid Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4/c1-2-9-27-13-6-4-3-5-11(13)15-21-16-12(17(26)22-15)10-20-18(23-16)19-8-7-14(24)25/h3-6,10H,2,7-9H2,1H3,(H,24,25)(H2,19,20,21,22,23,26)