8-[3-[(4-chloranyl-2-nitro-phenyl)amino]propylamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[3-[(4-chloranyl-2-nitro-phenyl)amino]propylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(4-chloro-2-nitro-anilino)propylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[3-(4-chloro-2-nitroanilino)propylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(4-chloro-2-nitroanilino)propylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(4-chloro-2-nitro-anilino)propylamino]-1,3,7-trimethyl-xanthine Formula: C17H20ClN7O4 MolecularWeight: 421.8382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCNC3=C(C=C(C=C3)Cl)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCCNC3=C(C=C(C=C3)Cl)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20ClN7O4/c1-22-13-14(23(2)17(27)24(3)15(13)26)21-16(22)20-8-4-7-19-11-6-5-10(18)9-12(11)25(28)29/h5-6,9,19H,4,7-8H2,1-3H3,(H,20,21)