3-butyl-7-ethyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(4-methoxy-2-nitrophenoxy)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(4-methoxy-2-nitrophenoxy)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]xanthine Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)OC)[N+](=O)[O-])CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)OC)[N+](=O)[O-])CC

InChI

InChI=1S/C19H23N5O6/c1-4-6-9-23-17-16(18(25)21-19(23)26)22(5-2)15(20-17)11-30-14-8-7-12(29-3)10-13(14)24(27)28/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,25,26)