9-[2,2,6,6-tetrakis(phenylmethoxymethyl)-1,3-dioxin-4-yl]purin-6-amine

Systemtic Name: 9-[2,2,6,6-tetrakis(phenylmethoxymethyl)-1,3-dioxin-4-yl]purin-6-amine Openeye Name: 9-[2,2,6,6-tetrakis(benzyloxymethyl)-1,3-dioxin-4-yl]purin-6-amine CAS Name: 9-[2,2,6,6-tetrakis(phenylmethoxymethyl)-1,3-dioxin-4-yl]-6-purinamine IUPAC Name: 9-[2,2,6,6-tetrakis(phenylmethoxymethyl)-1,3-dioxin-4-yl]purin-6-amine Traditional Name: [9-[2,2,6,6-tetrakis(benzoxymethyl)-1,3-dioxin-4-yl]purin-6-yl]amine Formula: C41H41N5O6 MolecularWeight: 699.79414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2(C=C(OC(O2)(COCC3=CC=CC=C3)COCC4=CC=CC=C4)N5C=NC6=C5N=CN=C6N)COCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COCC2(C=C(OC(O2)(COCC3=CC=CC=C3)COCC4=CC=CC=C4)N5C=NC6=C5N=CN=C6N)COCC7=CC=CC=C7

InChI

InChI=1S/C41H41N5O6/c42-38-37-39(44-30-43-38)46(31-45-37)36-21-40(26-47-22-32-13-5-1-6-14-32,27-48-23-33-15-7-2-8-16-33)52-41(51-36,28-49-24-34-17-9-3-10-18-34)29-50-25-35-19-11-4-12-20-35/h1-21,30-31H,22-29H2,(H2,42,43,44)