1,3-dimethyl-7-prop-2-enyl-8-[4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-[4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[4-(2H-tetrazol-5-yl)phenoxy]purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-[4-(2H-tetrazol-5-yl)phenoxy]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-[4-(2H-tetrazol-5-yl)phenoxy]purine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[4-(2H-tetrazol-5-yl)phenoxy]xanthine Formula: C17H16N8O3 MolecularWeight: 380.36074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=NNN=N4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C4=NNN=N4)CC=C

InChI

InChI=1S/C17H16N8O3/c1-4-9-25-12-14(23(2)17(27)24(3)15(12)26)18-16(25)28-11-7-5-10(6-8-11)13-19-21-22-20-13/h4-8H,1,9H2,2-3H3,(H,19,20,21,22)