3-butyl-7-methyl-8-(5-nitrofuran-2-yl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(5-nitrofuran-2-yl)purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(5-nitro-2-furyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(5-nitro-2-furanyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(5-nitrofuran-2-yl)purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-(5-nitro-2-furyl)xanthine Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N5O5/c1-3-4-7-18-12-10(13(20)16-14(18)21)17(2)11(15-12)8-5-6-9(24-8)19(22)23/h5-6H,3-4,7H2,1-2H3,(H,16,20,21)