8-bromanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C18H15BrN4O2/c1-21-15-14(16(24)22(2)18(21)25)23(17(19)20-15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3