2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(4-phenylbutyl)-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=NC(=O)C3=CN=CN=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=NC(=O)C3=CN=CN=C3N2

InChI

InChI=1S/C16H16N4O/c21-16-13-10-17-11-18-15(13)19-14(20-16)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18,19,20,21)