3-(diphenylmethyl)-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one; ethanoic acid

Systemtic Name: 3-(diphenylmethyl)-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one; ethanoic acid Openeye Name: acetic acid; 3-benzhydryl-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one CAS Name: acetic acid; 3-(diphenylmethyl)-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one IUPAC Name: acetic acid; 3-benzhydryl-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one Traditional Name: acetic acid; 3-benzhydryl-7-(2-hydroxyethyl)-1,2-dihydropurin-6-one Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1NC(=O)C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CCO

Isomeric SMILES

CC(=O)O.C1NC(=O)C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CCO

InChI

InChI=1S/C20H20N4O2.C2H4O2/c25-12-11-23-13-21-19-18(23)20(26)22-14-24(19)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2(3)4/h1-10,13,17,25H,11-12,14H2,(H,22,26);1H3,(H,3,4)