1,3-dimethyl-8-nitro-9-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-9-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-9-(2-oxo-2-tetralin-6-yl-ethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]purine-2,6-dione Traditional Name: 9-(2-keto-2-tetralin-6-yl-ethyl)-1,3-dimethyl-8-nitro-xanthine Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c1-21-16-15(17(26)22(2)19(21)27)20-18(24(28)29)23(16)10-14(25)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3