4-[8-(4-iodanyl-2-methoxy-pyridin-3-yl)-6-methyl-7H-purin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[8-(4-iodanyl-2-methoxy-pyridin-3-yl)-6-methyl-7H-purin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[8-(4-iodo-2-methoxy-3-pyridyl)-6-methyl-7H-purin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[8-(4-iodo-2-methoxy-3-pyridinyl)-6-methyl-7H-purin-2-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[8-(4-iodo-2-methoxypyridin-3-yl)-6-methyl-7H-purin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[8-(4-iodo-2-methoxy-3-pyridyl)-6-methyl-7H-purin-2-yl]piperazine-1-carboxylic acid Formula: C17H18IN7O3 MolecularWeight: 495.27439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)O)N=C(N2)C4=C(C=CN=C4OC)I

Isomeric SMILES

CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)O)N=C(N2)C4=C(C=CN=C4OC)I

InChI

InChI=1S/C17H18IN7O3/c1-9-12-14(22-13(21-12)11-10(18)3-4-19-15(11)28-2)23-16(20-9)24-5-7-25(8-6-24)17(26)27/h3-4H,5-8H2,1-2H3,(H,26,27)(H,20,21,22,23)