8-(chloromethyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C12H17ClN4O3 MolecularWeight: 300.74138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CCOC

InChI

InChI=1S/C12H17ClN4O3/c1-3-4-17-10-9(11(18)15-12(17)19)16(5-6-20-2)8(7-13)14-10/h3-7H2,1-2H3,(H,15,18,19)