8-(4-chloranyl-3-methyl-phenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-3-methyl-phenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(4-chloro-3-methyl-phenoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-3-methylphenoxy)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(4-chloro-3-methylphenoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(4-chloro-3-methyl-phenoxy)-3,7-dimethyl-xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O3/c1-13-11-15(9-10-16(13)22)29-20-23-18-17(24(20)2)19(27)26(21(28)25(18)3)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3