8-(chloromethyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C16H15ClN4O4 MolecularWeight: 362.7677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H15ClN4O4/c1-20-14-13(15(23)19-16(20)24)21(12(7-17)18-14)8-11(22)9-3-5-10(25-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,19,23,24)