diethyl 2-pyrimido[4,5-c]isoquinolin-6-ylpropanedioate

Systemtic Name: diethyl 2-pyrimido[4,5-c]isoquinolin-6-ylpropanedioate Openeye Name: diethyl 2-pyrimido[4,5-c]isoquinolin-6-ylpropanedioate CAS Name: 2-(6-pyrimido[4,5-c]isoquinolinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-pyrimido[4,5-c]isoquinolin-6-ylpropanedioate Traditional Name: 2-pyrimid[4,5-c]isoquinolin-6-ylmalonic acid diethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC2=NC=NC=C2C3=CC=CC=C31)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=NC2=NC=NC=C2C3=CC=CC=C31)C(=O)OCC

InChI

InChI=1S/C18H17N3O4/c1-3-24-17(22)14(18(23)25-4-2)15-12-8-6-5-7-11(12)13-9-19-10-20-16(13)21-15/h5-10,14H,3-4H2,1-2H3