3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-piperazino-xanthine Formula: C19H23N7O6 MolecularWeight: 445.42922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C[C@H](COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N7O6/c1-23-16-15(17(28)22-19(23)29)25(18(21-16)24-8-6-20-7-9-24)10-13(27)11-32-14-4-2-12(3-5-14)26(30)31/h2-5,13,20,27H,6-11H2,1H3,(H,22,28,29)/t13-/m1/s1