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

Systemtic Name: 4-methyl-3-[8-methyl-6-(3-oxidanylphenoxy)-9-(phenylmethyl)purin-2-yl]oxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-6-(3-hydroxyphenoxy)-8-methyl-purin-2-yl]oxy-4-methyl-benzamidine CAS Name: 3-[[6-(3-hydroxyphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-4-methylbenzenecarboximidamide IUPAC Name: 3-[9-benzyl-6-(3-hydroxyphenoxy)-8-methylpurin-2-yl]oxy-4-methylbenzenecarboximidamide Traditional Name: 3-[9-benzyl-6-(3-hydroxyphenoxy)-8-methyl-purin-2-yl]oxy-4-methyl-benzamidine Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)O)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)O)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C27H24N6O3/c1-16-11-12-19(24(28)29)13-22(16)36-27-31-25-23(26(32-27)35-21-10-6-9-20(34)14-21)30-17(2)33(25)15-18-7-4-3-5-8-18/h3-14,34H,15H2,1-2H3,(H3,28,29)