7-(2-chloroethyl)-3-methyl-8-phenyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-3-methyl-8-phenyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-(2-chloroethyl)-3-methyl-8-phenyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-3-methyl-8-phenyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-3-methyl-8-phenyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-(2-chloroethyl)-3-methyl-8-phenyl-xanthine Formula: C17H17ClN4O2 MolecularWeight: 344.79548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CCCl

InChI

InChI=1S/C17H17ClN4O2/c1-3-10-22-16(23)13-15(20(2)17(22)24)19-14(21(13)11-9-18)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3