3-methyl-1-(phenylmethoxymethyl)-7-(triphenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-1-(phenylmethoxymethyl)-7-(triphenylmethyl)purine-2,6-dione Openeye Name: 1-(benzyloxymethyl)-3-methyl-7-trityl-purine-2,6-dione CAS Name: 3-methyl-1-(phenylmethoxymethyl)-7-(triphenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(phenylmethoxymethyl)-7-tritylpurine-2,6-dione Traditional Name: 1-(benzoxymethyl)-3-methyl-7-trityl-xanthine Formula: C33H28N4O3 MolecularWeight: 528.60042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)COCC3=CC=CC=C3)N(C=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)COCC3=CC=CC=C3)N(C=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H28N4O3/c1-35-30-29(31(38)36(32(35)39)24-40-22-25-14-6-2-7-15-25)37(23-34-30)33(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,23H,22,24H2,1H3