[(E)-3-[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]prop-2-enyl]-oxidanyl-phosphinate

Systemtic Name: [(E)-3-[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]prop-2-enyl]-oxidanyl-phosphinate Openeye Name: [(E)-3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]allyl]-hydroxy-phosphinate CAS Name: [(E)-3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]prop-2-enyl]-hydroxyphosphinate IUPAC Name: [(E)-3-[3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]prop-2-enyl]-hydroxyphosphinate Traditional Name: [(E)-3-[3-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenyl]allyl]-hydroxy-phosphinate Formula: C15H15N5O4P- MolecularWeight: 360.284461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C2NC(=NC3=O)N)C=CCP(=O)(O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C2NC(=NC3=O)N)/C=C/CP(=O)(O)[O-]

InChI

InChI=1S/C15H16N5O4P/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-11-4-1-3-10(7-11)5-2-6-25(22,23)24/h1-5,7,9H,6,8H2,(H2,22,23,24)(H3,16,18,19,21)/p-1/b5-2+