3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=CC4=CN=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NN=CC4=CN=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C22H23N7O4/c1-14-6-3-4-8-17(14)33-13-16(30)12-29-18-19(28(2)22(32)26-20(18)31)25-21(29)27-24-11-15-7-5-9-23-10-15/h3-11,16,30H,12-13H2,1-2H3,(H,25,27)(H,26,31,32)