3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-[(2Z)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-[(N'Z)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=NC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=CC=NC=C3)C[C@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C21H21N7O4/c1-27-18-17(19(30)25-21(27)31)28(12-15(29)13-32-16-5-3-2-4-6-16)20(24-18)26-23-11-14-7-9-22-10-8-14/h2-11,15,29H,12-13H2,1H3,(H,24,26)(H,25,30,31)/b23-11-/t15-/m1/s1