2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenyl-acetic acid CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]-2-phenylacetic acid IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenylacetic acid Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenyl-acetic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N6O4/c1-3-10-26-19-16(20(29)27(11-4-2)22(26)32)24-18(25-19)15-12-23-28(13-15)17(21(30)31)14-8-6-5-7-9-14/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,24,25)(H,30,31)