1-(2-chloroethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(2-chloroethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(2-chloroethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(2-chloroethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(2-chloroethyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(2-chloroethyl)-3-methyl-xanthine Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCl)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCl)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C15H15ClN4O2/c1-18-13-12(14(21)20(8-7-16)15(18)22)19(10-17-13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3