2-[2-[(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid

Systemtic Name: 2-[2-[(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid Openeye Name: 2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid CAS Name: 2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid IUPAC Name: 2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid Traditional Name: 2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethynylphosphonic acid Formula: C14H13ClN5O3P MolecularWeight: 365.711481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3Cl)N)C#CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3Cl)N)C#CP(=O)(O)O

InChI

InChI=1S/C14H13ClN5O3P/c15-12-11-13(19-14(16)18-12)20(8-17-11)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-4,8,12H,7H2,(H3,16,18,19)(H2,21,22,23)