4-methyl-7-(phenoxymethyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-7-(phenoxymethyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-4-methyl-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-7-(phenoxymethyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-4-methyl-7-(phenoxymethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-4-methyl-7-(phenoxymethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC4=CC=CC=C4)COC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CC4=CC=CC=C4)COC5=CC=CC=C5

InChI

InChI=1S/C22H19N5O3/c1-25-19-18(20(28)24-22(25)29)27-13-16(14-30-17-10-6-3-7-11-17)26(21(27)23-19)12-15-8-4-2-5-9-15/h2-11,13H,12,14H2,1H3,(H,24,28,29)