[3-[[9-[(3-hydroxyphenyl)methyl]-6-phenylazanyl-purin-2-yl]amino]propyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [3-[[9-[(3-hydroxyphenyl)methyl]-6-phenylazanyl-purin-2-yl]amino]propyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [3-[[6-anilino-9-[(3-hydroxyphenyl)methyl]purin-2-yl]amino]propyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [3-[[6-anilino-9-[(3-hydroxyphenyl)methyl]-2-purinyl]amino]propyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [3-[[6-anilino-9-[(3-hydroxyphenyl)methyl]purin-2-yl]amino]propyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [3-[[6-anilino-9-(3-hydroxybenzyl)purin-2-yl]amino]propyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C22H26N6O6P2 MolecularWeight: 532.425962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)O)NCCCP(=O)(CP(=O)(O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)O)NCCCP(=O)(CP(=O)(O)O)O

InChI

InChI=1S/C22H26N6O6P2/c29-18-9-4-6-16(12-18)13-28-14-24-19-20(25-17-7-2-1-3-8-17)26-22(27-21(19)28)23-10-5-11-35(30,31)15-36(32,33)34/h1-4,6-9,12,14,29H,5,10-11,13,15H2,(H,30,31)(H2,32,33,34)(H2,23,25,26,27)