2-azanyl-5-[3-[4-(phenylcarbonyl)phenyl]propanoyl]-1,6,7,8-tetrahydropteridin-4-one

Systemtic Name: 2-azanyl-5-[3-[4-(phenylcarbonyl)phenyl]propanoyl]-1,6,7,8-tetrahydropteridin-4-one Openeye Name: 2-amino-5-[3-(4-benzoylphenyl)propanoyl]-1,6,7,8-tetrahydropteridin-4-one CAS Name: 2-amino-5-[3-(4-benzoylphenyl)-1-oxopropyl]-1,6,7,8-tetrahydropteridin-4-one IUPAC Name: 2-amino-5-[3-(4-benzoylphenyl)propanoyl]-1,6,7,8-tetrahydropteridin-4-one Traditional Name: 2-amino-5-[3-(4-benzoylphenyl)propanoyl]-1,6,7,8-tetrahydropteridin-4-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(N1)NC(=NC2=O)N)C(=O)CCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=C(N1)NC(=NC2=O)N)C(=O)CCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c23-22-25-20-18(21(30)26-22)27(13-12-24-20)17(28)11-8-14-6-9-16(10-7-14)19(29)15-4-2-1-3-5-15/h1-7,9-10H,8,11-13H2,(H4,23,24,25,26,30)