2-[3-(2-azanylphenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide

Systemtic Name: 2-[3-(2-azanylphenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Openeye Name: 2-[3-(2-aminophenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide CAS Name: 2-[[3-(2-aminophenoxy)-8-methyl-2-purinyl]oxy]-4-cyano-N,N-diethylbenzamide IUPAC Name: 2-[3-(2-aminophenoxy)-8-methylpurin-2-yl]oxy-4-cyano-N,N-diethylbenzamide Traditional Name: 2-[3-(2-aminophenoxy)-8-methyl-purin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Formula: C24H23N7O3 MolecularWeight: 457.48452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4N

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC=C3C(=NC(=N3)C)N2OC4=CC=CC=C4N

InChI

InChI=1S/C24H23N7O3/c1-4-30(5-2)23(32)17-11-10-16(13-25)12-21(17)33-24-27-14-19-22(29-15(3)28-19)31(24)34-20-9-7-6-8-18(20)26/h6-12,14H,4-5,26H2,1-3H3