2-[(4-ethanoyl-2-oxidanyl-3-propyl-phenoxy)methyl]-1H-pteridin-4-one

Systemtic Name: 2-[(4-ethanoyl-2-oxidanyl-3-propyl-phenoxy)methyl]-1H-pteridin-4-one Openeye Name: 2-[(4-acetyl-2-hydroxy-3-propyl-phenoxy)methyl]-1H-pteridin-4-one CAS Name: 2-[(4-acetyl-2-hydroxy-3-propylphenoxy)methyl]-1H-pteridin-4-one IUPAC Name: 2-[(4-acetyl-2-hydroxy-3-propylphenoxy)methyl]-1H-pteridin-4-one Traditional Name: 2-[(4-acetyl-2-hydroxy-3-propyl-phenoxy)methyl]-1H-pteridin-4-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)OCC2=NC(=O)C3=NC=CN=C3N2)C(=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)OCC2=NC(=O)C3=NC=CN=C3N2)C(=O)C

InChI

InChI=1S/C18H18N4O4/c1-3-4-12-11(10(2)23)5-6-13(16(12)24)26-9-14-21-17-15(18(25)22-14)19-7-8-20-17/h5-8,24H,3-4,9H2,1-2H3,(H,20,21,22,25)