1,3-dimethyl-8-phenoxy-7-prop-2-enyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenoxy-7-prop-2-enyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-phenoxy-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-8-phenoxy-7-prop-2-enyl-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenoxy-7-prop-2-enyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-phenoxy-9H-purin-7-ium-2,6-quinone Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OC3=CC=CC=C3)CC=C

InChI

InChI=1S/C16H16N4O3/c1-4-10-20-12-13(18(2)16(22)19(3)14(12)21)17-15(20)23-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3/p+1