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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]-N-phenylacetamide IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-N-phenyl-acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N7O3/c1-3-10-28-20-18(21(31)29(11-4-2)22(28)32)25-19(26-20)15-12-23-27(13-15)14-17(30)24-16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,24,30)(H,25,26)