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

Systemtic Name: 7-[chloranyl-(2-nitrophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[chloro-(2-nitrophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[chloro-(2-nitrophenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[chloro-(2-nitrophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[chloro-(2-nitrophenyl)methyl]-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)C(C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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