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

Systemtic Name: 7-butyl-8-(chloromethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(chloromethyl)purine-2,6-dione CAS Name: 7-butyl-8-(chloromethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(chloromethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(chloromethyl)xanthine Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl

InChI

InChI=1S/C17H19ClN4O2/c1-2-3-9-21-13(10-18)19-15-14(21)16(23)20-17(24)22(15)11-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,20,23,24)