3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(4-nitrophenyl)xanthine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-3-5-10-21-15-13(16(23)19-17(21)24)20(4-2)14(18-15)11-6-8-12(9-7-11)22(25)26/h6-9H,3-5,10H2,1-2H3,(H,19,23,24)