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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-diazanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-xanthine Formula: C15H17ClN6O4 MolecularWeight: 380.78628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN6O4/c1-21-12-11(13(24)19-15(21)25)22(14(18-12)20-17)6-9(23)7-26-10-4-2-8(16)3-5-10/h2-5,9,23H,6-7,17H2,1H3,(H,18,20)(H,19,24,25)