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

Systemtic Name: 8-(chloromethyl)-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(chloromethyl)-7-isopentyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(chloromethyl)-7-isoamyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl

InChI

InChI=1S/C18H21ClN4O2/c1-12(2)8-9-22-14(10-19)20-16-15(22)17(24)21-18(25)23(16)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,21,24,25)