8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(8-6-11)22(25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)