2-[2-(3-methylphenyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3-methylphenyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-[2-(m-tolyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-[2-(3-methylphenyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-[2-(3-methylphenyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-[2-(m-tolyl)ethoxymethyl]-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCOCC2=NC(=O)C3=CN=CN=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)CCOCC2=NC(=O)C3=CN=CN=C3N2

InChI

InChI=1S/C16H16N4O2/c1-11-3-2-4-12(7-11)5-6-22-9-14-19-15-13(16(21)20-14)8-17-10-18-15/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,18,19,20,21)