8-[6-azanyl-5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]octylphosphonic acid

Systemtic Name: 8-[6-azanyl-5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]octylphosphonic acid Openeye Name: 8-(6-amino-5-bromo-2,4-dioxo-pyrimidin-1-yl)octylphosphonic acid CAS Name: 8-(6-amino-5-bromo-2,4-dioxo-1-pyrimidinyl)octylphosphonic acid IUPAC Name: 8-(6-amino-5-bromo-2,4-dioxopyrimidin-1-yl)octylphosphonic acid Traditional Name: 8-(6-amino-5-bromo-2,4-diketo-pyrimidin-1-yl)octylphosphonic acid Formula: C12H21BrN3O5P MolecularWeight: 398.190001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCP(=O)(O)O)CCCN1C(=C(C(=O)NC1=O)Br)N

Isomeric SMILES

C(CCCCP(=O)(O)O)CCCN1C(=C(C(=O)NC1=O)Br)N

InChI

InChI=1S/C12H21BrN3O5P/c13-9-10(14)16(12(18)15-11(9)17)7-5-3-1-2-4-6-8-22(19,20)21/h1-8,14H2,(H,15,17,18)(H2,19,20,21)