7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-nitrophenyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-nitrophenyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-nitrophenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-nitrophenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-nitrophenyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-nitrophenyl)xanthine Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C18H21N5O5/c1-11(2)10-22-16-14(17(24)20-18(22)25)21(8-9-28-3)15(19-16)12-4-6-13(7-5-12)23(26)27/h4-7,11H,8-10H2,1-3H3,(H,20,24,25)