8-(4-chloranyl-3-nitro-phenyl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-3-nitro-phenyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(4-chloro-3-nitro-phenyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(4-chloro-3-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(4-chloro-3-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(4-chloro-3-nitro-phenyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O4/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-11(18)12(9-10)23(26)27/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)