3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)prop-1-en-2-yloxymethyl-propan-2-yloxy-phosphinic acid

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)prop-1-en-2-yloxymethyl-propan-2-yloxy-phosphinic acid Openeye Name: 1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]vinyloxymethyl-isopropoxy-phosphinic acid CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)prop-1-en-2-yloxymethyl-propan-2-yloxyphosphinic acid IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)prop-1-en-2-yloxymethyl-propan-2-yloxyphosphinic acid Traditional Name: 1-[(2-amino-6-keto-3H-purin-9-yl)methyl]vinyloxymethyl-isopropoxy-phosphinic acid Formula: C12H18N5O5P MolecularWeight: 343.275581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(=C)CN1C=NC2=C1NC(=NC2=O)N)O

Isomeric SMILES

CC(C)OP(=O)(COC(=C)CN1C=NC2=C1NC(=NC2=O)N)O

InChI

InChI=1S/C12H18N5O5P/c1-7(2)22-23(19,20)6-21-8(3)4-17-5-14-9-10(17)15-12(13)16-11(9)18/h5,7H,3-4,6H2,1-2H3,(H,19,20)(H3,13,15,16,18)