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

Systemtic Name: 8-(4-chloranyl-3-methyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-3-methyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-3-methylphenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-3-methylphenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-3-methyl-phenoxy)-1,3,7-trimethyl-xanthine Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O3/c1-8-7-9(5-6-10(8)16)23-14-17-12-11(18(14)2)13(21)20(4)15(22)19(12)3/h5-7H,1-4H3