1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methyl-phenyl]ethenylphosphonic acid

Systemtic Name: 1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methyl-phenyl]ethenylphosphonic acid Openeye Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-methyl-phenyl]vinylphosphonic acid CAS Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-methylphenyl]ethenylphosphonic acid IUPAC Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-methylphenyl]ethenylphosphonic acid Traditional Name: 1-[3-(2-amino-6-keto-3H-purin-9-yl)-2-methyl-phenyl]vinylphosphonic acid Formula: C14H14N5O4P MolecularWeight: 347.265821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C(=C)P(=O)(O)O

Isomeric SMILES

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C(=C)P(=O)(O)O

InChI

InChI=1S/C14H14N5O4P/c1-7-9(8(2)24(21,22)23)4-3-5-10(7)19-6-16-11-12(19)17-14(15)18-13(11)20/h3-6H,2H2,1H3,(H2,21,22,23)(H3,15,17,18,20)