1-(7H-purin-6-yl)-3-[2,4,6-tris(bromanyl)phenyl]urea

Systemtic Name: 1-(7H-purin-6-yl)-3-[2,4,6-tris(bromanyl)phenyl]urea Openeye Name: 1-(7H-purin-6-yl)-3-(2,4,6-tribromophenyl)urea CAS Name: 1-(7H-purin-6-yl)-3-(2,4,6-tribromophenyl)urea IUPAC Name: 1-(7H-purin-6-yl)-3-(2,4,6-tribromophenyl)urea Traditional Name: 1-(7H-purin-6-yl)-3-(2,4,6-tribromophenyl)urea Formula: C12H7Br3N6O MolecularWeight: 490.93558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)NC(=O)NC2=NC=NC3=C2NC=N3)Br)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)NC(=O)NC2=NC=NC3=C2NC=N3)Br)Br

InChI

InChI=1S/C12H7Br3N6O/c13-5-1-6(14)8(7(15)2-5)20-12(22)21-11-9-10(17-3-16-9)18-4-19-11/h1-4H,(H3,16,17,18,19,20,21,22)