7-(3-chloranyl-2-oxidanyl-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-8-[4-(2-hydroxyethyl)piperazino]-1,3-dimethyl-xanthine Formula: C16H25ClN6O4 MolecularWeight: 400.8605

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC(CCl)O

InChI

InChI=1S/C16H25ClN6O4/c1-19-13-12(14(26)20(2)16(19)27)23(10-11(25)9-17)15(18-13)22-5-3-21(4-6-22)7-8-24/h11,24-25H,3-10H2,1-2H3