3-butyl-7-ethyl-8-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-(p-tolyl)tetrazol-2-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[5-(4-methylphenyl)-2-tetrazolyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[5-(p-tolyl)tetrazol-2-yl]methyl]xanthine Formula: C20H24N8O2 MolecularWeight: 408.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3N=C(N=N3)C4=CC=C(C=C4)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3N=C(N=N3)C4=CC=C(C=C4)C)CC

InChI

InChI=1S/C20H24N8O2/c1-4-6-11-27-18-16(19(29)22-20(27)30)26(5-2)15(21-18)12-28-24-17(23-25-28)14-9-7-13(3)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,22,29,30)