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

Systemtic Name: 8-diazanyl-7-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)C[C@@H](COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C16H20N6O5/c1-21-13-12(14(24)19-16(21)25)22(15(18-13)20-17)7-9(23)8-27-11-5-3-10(26-2)4-6-11/h3-6,9,23H,7-8,17H2,1-2H3,(H,18,20)(H,19,24,25)/t9-/m0/s1