(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 3-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 3-[4-(phenylcarbonyl)phenyl]propanoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 3-(4-benzoylphenyl)propanoate CAS Name: 3-(4-benzoylphenyl)propanoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 3-(4-benzoylphenyl)propanoate Traditional Name: 3-(4-benzoylphenyl)propionic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C23H19N5O4/c24-23-27-21-19(22(31)28-23)26-17(12-25-21)13-32-18(29)11-8-14-6-9-16(10-7-14)20(30)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H3,24,25,27,28,31)