N-[(3E)-3-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-ylidene]-2-methyl-1H-pyrazol-5-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(3E)-3-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-ylidene]-2-methyl-1H-pyrazol-5-yl]-2-phenyl-ethanamide Openeye Name: N-[(3E)-3-(2,6-dioxo-1,3-dipropyl-purin-8-ylidene)-2-methyl-1H-pyrazol-5-yl]-2-phenyl-acetamide CAS Name: N-[(3E)-3-(2,6-dioxo-1,3-dipropyl-8-purinylidene)-2-methyl-1H-pyrazol-5-yl]-2-phenylacetamide IUPAC Name: N-[(3E)-3-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-2-methyl-1H-pyrazol-5-yl]-2-phenylacetamide Traditional Name: N-[(5E)-5-(2,6-diketo-1,3-dipropyl-purin-8-ylidene)-1-methyl-3-pyrazolin-3-yl]-2-phenyl-acetamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=C(NN3C)NC(=O)CC4=CC=CC=C4)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C/3\C=C(NN3C)NC(=O)CC4=CC=CC=C4)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C23H27N7O3/c1-4-11-29-21-19(22(32)30(12-5-2)23(29)33)25-20(26-21)16-14-17(27-28(16)3)24-18(31)13-15-9-7-6-8-10-15/h6-10,14,27H,4-5,11-13H2,1-3H3,(H,24,31)/b20-16+