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

Systemtic Name: [ethoxy-[4-[(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]phenyl]-phosphoroso-methyl]phosphonic acid Openeye Name: [ethoxy-[4-[(2-iodo-9-isopropyl-purin-6-yl)amino]phenyl]-phosphoroso-methyl]phosphonic acid CAS Name: [ethoxy-[4-[(2-iodo-9-propan-2-yl-6-purinyl)amino]phenyl]-phosphorosomethyl]phosphonic acid IUPAC Name: [ethoxy-[4-[(2-iodo-9-propan-2-ylpurin-6-yl)amino]phenyl]-phosphorosomethyl]phosphonic acid Traditional Name: [ethoxy-[4-[(2-iodo-9-isopropyl-purin-6-yl)amino]phenyl]-phosphoroso-methyl]phosphonic acid Formula: C17H20IN5O5P2 MolecularWeight: 563.223192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)I)(P=O)P(=O)(O)O

Isomeric SMILES

CCOC(C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)I)(P=O)P(=O)(O)O

InChI

InChI=1S/C17H20IN5O5P2/c1-4-28-17(29-24,30(25,26)27)11-5-7-12(8-6-11)20-14-13-15(22-16(18)21-14)23(9-19-13)10(2)3/h5-10H,4H2,1-3H3,(H,20,21,22)(H2,25,26,27)