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

Systemtic Name: 8-diazanyl-3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NN)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C16H20N6O4/c1-9-4-3-5-11(6-9)26-8-10(23)7-22-12-13(18-15(22)20-17)21(2)16(25)19-14(12)24/h3-6,10,23H,7-8,17H2,1-2H3,(H,18,20)(H,19,24,25)/t10-/m0/s1