8-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C26H21Cl2N5O4 MolecularWeight: 538.38204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=C(C=C4)OC5=C(C=C(C=N5)Cl)Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2OC4=CC=C(C=C4)OC5=C(C=C(C=N5)Cl)Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H21Cl2N5O4/c1-15-6-4-5-7-16(15)14-33-21-22(31(2)26(35)32(3)24(21)34)30-25(33)37-19-10-8-18(9-11-19)36-23-20(28)12-17(27)13-29-23/h4-13H,14H2,1-3H3