8-chloranyl-1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-di(cyclobutyl)purine-2,6-dione CAS Name: 8-chloro-1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-di(cyclobutyl)purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-di(cyclobutyl)xanthine Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C(=N3)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C(=N3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C20H21ClN4O2/c21-19-22-17-16(23(19)12-13-6-2-1-3-7-13)18(26)25(15-10-5-11-15)20(27)24(17)14-8-4-9-14/h1-3,6-7,14-15H,4-5,8-12H2