7-[(5-chloranyl-2-nitro-phenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(5-chloranyl-2-nitro-phenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(5-chloro-2-nitro-phenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(5-chloro-2-nitrophenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(5-chloro-2-nitrophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(5-chloro-2-nitro-benzyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C18H20ClN7O4 MolecularWeight: 433.8489

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN7O4/c1-22-15-14(16(27)23(2)18(22)28)25(17(21-15)24-7-5-20-6-8-24)10-11-9-12(19)3-4-13(11)26(29)30/h3-4,9,20H,5-8,10H2,1-2H3