7-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-[2-[2-hydroxyethyl-(phenylmethyl)amino]ethyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCN(CCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCN(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O5/c1-20-15-14(16(26)21(2)18(20)27)23(17(19-15)24(28)29)9-8-22(10-11-25)12-13-6-4-3-5-7-13/h3-7,25H,8-12H2,1-2H3