1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-dione

Systemtic Name: 1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-dione Openeye Name: 1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-dione CAS Name: 1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-dione IUPAC Name: 1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-dione Traditional Name: 1-butyl-3-(3-nitrophenyl)-7H-purine-2,6-quinone Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-2-3-7-18-14(21)12-13(17-9-16-12)19(15(18)22)10-5-4-6-11(8-10)20(23)24/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)