3-[3-[2-(2-azanylethyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[3-[2-(2-azanylethyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-chloranyl-benzenecarbonitrile Openeye Name: 3-[3-[2-(2-aminoethyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-chloro-benzonitrile CAS Name: 3-[[3-[2-(2-aminoethyl)phenoxy]-8-methyl-2-purinyl]oxy]-4-chlorobenzonitrile IUPAC Name: 3-[3-[2-(2-aminoethyl)phenoxy]-8-methylpurin-2-yl]oxy-4-chlorobenzonitrile Traditional Name: 3-[3-[2-(2-aminoethyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-chloro-benzonitrile Formula: C21H17ClN6O2 MolecularWeight: 420.85168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3CCN)OC4=C(C=CC(=C4)C#N)Cl

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3CCN)OC4=C(C=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H17ClN6O2/c1-13-26-17-12-25-21(29-19-10-14(11-24)6-7-16(19)22)28(20(17)27-13)30-18-5-3-2-4-15(18)8-9-23/h2-7,10,12H,8-9,23H2,1H3