2-bromanyl-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-bromanyl-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 2-bromo-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one CAS Name: 2-bromo-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-bromo-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 2-bromo-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one Formula: C17H19BrN4O2 MolecularWeight: 391.26236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)Br)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)Br)O

InChI

InChI=1S/C17H19BrN4O2/c1-11(23)13(9-5-8-12-6-3-2-4-7-12)22-10-19-14-15(22)20-17(18)21-16(14)24/h2-4,6-7,10-11,13,23H,5,8-9H2,1H3,(H,20,21,24)