4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]penta-1,4-dien-2-ylphosphonic acid

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]penta-1,4-dien-2-ylphosphonic acid Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1-methylene-but-3-enyl]phosphonic acid CAS Name: 4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]penta-1,4-dien-2-ylphosphonic acid IUPAC Name: 4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]penta-1,4-dien-2-ylphosphonic acid Traditional Name: [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-1-methylene-but-3-enyl]phosphonic acid Formula: C11H14N5O4P MolecularWeight: 311.233721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=C)P(=O)(O)O)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

C=C(CC(=C)P(=O)(O)O)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H14N5O4P/c1-6(3-7(2)21(18,19)20)4-16-5-13-8-9(16)14-11(12)15-10(8)17/h5H,1-4H2,(H2,18,19,20)(H3,12,14,15,17)