7-(1-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(1-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-7-(1-chloroethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-7-(1-chloroethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-7-(1-chloroethyl)-1,3-dimethyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O2/c1-10(17)21-12(9-11-7-5-4-6-8-11)18-14-13(21)15(22)20(3)16(23)19(14)2/h4-8,10H,9H2,1-3H3