(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid

Systemtic Name: (2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid Openeye Name: (2-amino-6-chloro-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid CAS Name: (2-amino-6-chloro-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid IUPAC Name: (2-amino-6-chloro-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid Traditional Name: (2-amino-6-chloro-3,6-dihydropurin-9-yl)methoxy-(2-phenylethynyl)phosphinic acid Formula: C14H13ClN5O3P MolecularWeight: 365.711481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CP(=O)(O)OCN2C=NC3=C2NC(=NC3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C#CP(=O)(O)OCN2C=NC3=C2NC(=NC3Cl)N

InChI

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