[4-[2,6-bis(azanyl)purin-9-yl]-1-phenyl-butyl]phosphonic acid; sodium

Systemtic Name: [4-[2,6-bis(azanyl)purin-9-yl]-1-phenyl-butyl]phosphonic acid; sodium Openeye Name: [4-(2,6-diaminopurin-9-yl)-1-phenyl-butyl]phosphonic acid; sodium CAS Name: [4-(2,6-diamino-9-purinyl)-1-phenylbutyl]phosphonic acid; sodium IUPAC Name: [4-(2,6-diaminopurin-9-yl)-1-phenylbutyl]phosphonic acid; sodium Traditional Name: [4-(2,6-diaminopurin-9-yl)-1-phenyl-butyl]phosphonic acid; sodium Formula: C15H19N6NaO3P MolecularWeight: 385.313291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3N)N)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3N)N)P(=O)(O)O.[Na]

InChI

InChI=1S/C15H19N6O3P.Na/c16-13-12-14(20-15(17)19-13)21(9-18-12)8-4-7-11(25(22,23)24)10-5-2-1-3-6-10;/h1-3,5-6,9,11H,4,7-8H2,(H2,22,23,24)(H4,16,17,19,20);