3-butyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-butyl-8-(chloromethyl)-7-isopentyl-purine-2,6-dione CAS Name: 3-butyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-butyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-butyl-8-(chloromethyl)-7-isoamyl-xanthine Formula: C15H23ClN4O2 MolecularWeight: 326.82172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)CCC(C)C

InChI

InChI=1S/C15H23ClN4O2/c1-4-5-7-20-13-12(14(21)18-15(20)22)19(8-6-10(2)3)11(9-16)17-13/h10H,4-9H2,1-3H3,(H,18,21,22)