2-[2-azanyl-1-(7,8-dihydropurin-9-ylmethyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl]ethynylphosphonic acid

Systemtic Name: 2-[2-azanyl-1-(7,8-dihydropurin-9-ylmethyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl]ethynylphosphonic acid Openeye Name: 2-[2-amino-1-(7,8-dihydropurin-9-ylmethyl)-6-oxo-cyclohexa-2,4-dien-1-yl]ethynylphosphonic acid CAS Name: 2-[2-amino-1-(7,8-dihydropurin-9-ylmethyl)-6-oxo-1-cyclohexa-2,4-dienyl]ethynylphosphonic acid IUPAC Name: 2-[2-amino-1-(7,8-dihydropurin-9-ylmethyl)-6-oxocyclohexa-2,4-dien-1-yl]ethynylphosphonic acid Traditional Name: 2-[2-amino-1-(7,8-dihydropurin-9-ylmethyl)-6-keto-cyclohexa-2,4-dien-1-yl]ethynylphosphonic acid Formula: C14H14N5O4P MolecularWeight: 347.265821

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=CN=CN=C2N1CC3(C(=O)C=CC=C3N)C#CP(=O)(O)O

Isomeric SMILES

C1NC2=CN=CN=C2N1CC3(C(=O)C=CC=C3N)C#CP(=O)(O)O

InChI

InChI=1S/C14H14N5O4P/c15-11-2-1-3-12(20)14(11,4-5-24(21,22)23)7-19-9-18-10-6-16-8-17-13(10)19/h1-3,6,8,18H,7,9,15H2,(H2,21,22,23)