2-azanyl-3-[2,4-bis(oxidanylidene)-3-[(4-phosphonophenyl)methyl]pyrimidin-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,4-bis(oxidanylidene)-3-[(4-phosphonophenyl)methyl]pyrimidin-1-yl]propanoic acid Openeye Name: 2-amino-3-[2,4-dioxo-3-[(4-phosphonophenyl)methyl]pyrimidin-1-yl]propanoic acid CAS Name: 2-amino-3-[2,4-dioxo-3-[(4-phosphonophenyl)methyl]-1-pyrimidinyl]propanoic acid IUPAC Name: 2-amino-3-[2,4-dioxo-3-[(4-phosphonophenyl)methyl]pyrimidin-1-yl]propanoic acid Traditional Name: 2-amino-3-[2,4-diketo-3-(4-phosphonobenzyl)pyrimidin-1-yl]propionic acid Formula: C14H16N3O7P MolecularWeight: 369.266501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)P(=O)(O)O

InChI

InChI=1S/C14H16N3O7P/c15-11(13(19)20)8-16-6-5-12(18)17(14(16)21)7-9-1-3-10(4-2-9)25(22,23)24/h1-6,11H,7-8,15H2,(H,19,20)(H2,22,23,24)