3-butyl-7-ethyl-8-[[(2-methoxy-5-nitro-phenyl)amino]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[(2-methoxy-5-nitro-phenyl)amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(2-methoxy-5-nitro-anilino)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(2-methoxy-5-nitroanilino)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(2-methoxy-5-nitroanilino)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(2-methoxy-5-nitro-anilino)methyl]xanthine Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)[N+](=O)[O-])OC)CC

InChI

InChI=1S/C19H24N6O5/c1-4-6-9-24-17-16(18(26)22-19(24)27)23(5-2)15(21-17)11-20-13-10-12(25(28)29)7-8-14(13)30-3/h7-8,10,20H,4-6,9,11H2,1-3H3,(H,22,26,27)