azane; [2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-phosphonooxy-phenyl] dihydrogen phosphate

Systemtic Name: azane; [2-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-5-phosphonooxy-phenyl] dihydrogen phosphate Openeye Name: ammonia; [2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-5-phosphonooxy-phenyl] dihydrogen phosphate CAS Name: ammonia; [2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-5-phosphonooxyphenyl] dihydrogen phosphate IUPAC Name: azane; [2-(6-iodo-4-oxo-1H-quinazolin-2-yl)-5-phosphonooxyphenyl] dihydrogen phosphate Traditional Name: ammonia; [2-(6-iodo-4-keto-1H-quinazolin-2-yl)-5-phosphonooxy-phenyl] dihydrogen phosphate Formula: C14H23IN6O9P2 MolecularWeight: 608.219212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OP(=O)(O)O)OP(=O)(O)O)C2=NC(=O)C3=C(N2)C=CC(=C3)I.N.N.N.N

Isomeric SMILES

C1=CC(=C(C=C1OP(=O)(O)O)OP(=O)(O)O)C2=NC(=O)C3=C(N2)C=CC(=C3)I.N.N.N.N

InChI

InChI=1S/C14H11IN2O9P2.4H3N/c15-7-1-4-11-10(5-7)14(18)17-13(16-11)9-3-2-8(25-27(19,20)21)6-12(9)26-28(22,23)24;;;;/h1-6H,(H,16,17,18)(H2,19,20,21)(H2,22,23,24);4*1H3