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

Systemtic Name: ethyl 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenyl-acetate CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenylacetate Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]-2-phenyl-acetic acid ethyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O4/c1-4-12-28-21-18(22(31)29(13-5-2)24(28)33)26-20(27-21)17-14-25-30(15-17)19(23(32)34-6-3)16-10-8-7-9-11-16/h7-11,14-15,19H,4-6,12-13H2,1-3H3,(H,26,27)