1,3-dimethyl-9-(naphthalen-1-ylmethyl)-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(naphthalen-1-ylmethyl)-8-nitro-purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(1-naphthylmethyl)-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-9-(1-naphthalenylmethyl)-8-nitropurine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(naphthalen-1-ylmethyl)-8-nitropurine-2,6-dione Traditional Name: 1,3-dimethyl-9-(1-naphthylmethyl)-8-nitro-xanthine Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4/c1-20-15-14(16(24)21(2)18(20)25)19-17(23(26)27)22(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3