3-[6-[3-(2-azanylethyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-chloranyl-benzenecarboximidamide

Systemtic Name: 3-[6-[3-(2-azanylethyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-chloranyl-benzenecarboximidamide Openeye Name: 3-[6-[3-(2-aminoethyl)phenoxy]-9-benzyl-8-methyl-purin-2-yl]oxy-4-chloro-benzamidine CAS Name: 3-[[6-[3-(2-aminoethyl)phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-4-chlorobenzenecarboximidamide IUPAC Name: 3-[6-[3-(2-aminoethyl)phenoxy]-9-benzyl-8-methylpurin-2-yl]oxy-4-chlorobenzenecarboximidamide Traditional Name: 3-[6-[3-(2-aminoethyl)phenoxy]-9-benzyl-8-methyl-purin-2-yl]oxy-4-chloro-benzamidine Formula: C28H26ClN7O2 MolecularWeight: 528.00474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)CCN)OC5=C(C=CC(=C5)C(=N)N)Cl

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)CCN)OC5=C(C=CC(=C5)C(=N)N)Cl

InChI

InChI=1S/C28H26ClN7O2/c1-17-33-24-26(36(17)16-19-6-3-2-4-7-19)34-28(38-23-15-20(25(31)32)10-11-22(23)29)35-27(24)37-21-9-5-8-18(14-21)12-13-30/h2-11,14-15H,12-13,16,30H2,1H3,(H3,31,32)