[4-[(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]phenyl]phosphonic acid

Systemtic Name: [4-[(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]phenyl]phosphonic acid Openeye Name: [4-[(2-iodo-9-isopropyl-purin-6-yl)amino]phenyl]phosphonic acid CAS Name: [4-[(2-iodo-9-propan-2-yl-6-purinyl)amino]phenyl]phosphonic acid IUPAC Name: [4-[(2-iodo-9-propan-2-ylpurin-6-yl)amino]phenyl]phosphonic acid Traditional Name: [4-[(2-iodo-9-isopropyl-purin-6-yl)amino]phenyl]phosphonic acid Formula: C14H15IN5O3P MolecularWeight: 459.178831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)P(=O)(O)O)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)P(=O)(O)O)I

InChI

InChI=1S/C14H15IN5O3P/c1-8(2)20-7-16-11-12(18-14(15)19-13(11)20)17-9-3-5-10(6-4-9)24(21,22)23/h3-8H,1-2H3,(H,17,18,19)(H2,21,22,23)