7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-8-diazanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-8-diazanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-purine-2,6-dione CAS Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione Traditional Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-xanthine Formula: C15H16Cl2N6O4 MolecularWeight: 415.23134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(COC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(COC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C15H16Cl2N6O4/c1-22-12-11(13(25)20-15(22)26)23(14(19-12)21-18)5-8(24)6-27-10-3-2-7(16)4-9(10)17/h2-4,8,24H,5-6,18H2,1H3,(H,19,21)(H,20,25,26)