8-chloranyl-1,3-dimethyl-7-[(2-phenoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-phenoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-phenoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-phenoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-phenoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(2-phenoxybenzyl)xanthine Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4O3/c1-23-17-16(18(26)24(2)20(23)27)25(19(21)22-17)12-13-8-6-7-11-15(13)28-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3