4-methyl-3-[8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzenecarboximidamide

Systemtic Name: 4-methyl-3-[8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methyl-benzamidine CAS Name: 4-methyl-3-[[8-methyl-2-[3-(1-methyl-2-imidazolyl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methylbenzenecarboximidamide Traditional Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methyl-benzamidine Formula: C31H28N8O2 MolecularWeight: 544.60642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)C6=NC=CN6C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)C6=NC=CN6C

InChI

InChI=1S/C31H28N8O2/c1-19-12-13-22(27(32)33)17-25(19)41-30-26-29(39(20(2)35-26)18-21-8-5-4-6-9-21)36-31(37-30)40-24-11-7-10-23(16-24)28-34-14-15-38(28)3/h4-17H,18H2,1-3H3,(H3,32,33)