8-diazanyl-1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-diazanyl-1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C17H22N6O4/c1-10-4-6-12(7-5-10)27-9-11(24)8-23-13-14(19-16(23)20-18)21(2)17(26)22(3)15(13)25/h4-7,11,24H,8-9,18H2,1-3H3,(H,19,20)/t11-/m0/s1