3-iodanyl-N-(9-methyl-2-pyridin-4-ylsulfanyl-purin-6-yl)benzamide

Systemtic Name: 3-iodanyl-N-(9-methyl-2-pyridin-4-ylsulfanyl-purin-6-yl)benzamide Openeye Name: 3-iodo-N-[9-methyl-2-(4-pyridylsulfanyl)purin-6-yl]benzamide CAS Name: 3-iodo-N-[9-methyl-2-(pyridin-4-ylthio)-6-purinyl]benzamide IUPAC Name: 3-iodo-N-(9-methyl-2-pyridin-4-ylsulfanylpurin-6-yl)benzamide Traditional Name: 3-iodo-N-[9-methyl-2-(4-pyridylthio)purin-6-yl]benzamide Formula: C18H13IN6OS MolecularWeight: 488.30489

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N=C2NC(=O)C3=CC(=CC=C3)I)SC4=CC=NC=C4

Isomeric SMILES

CN1C=NC2=C1N=C(N=C2NC(=O)C3=CC(=CC=C3)I)SC4=CC=NC=C4

InChI

InChI=1S/C18H13IN6OS/c1-25-10-21-14-15(22-17(26)11-3-2-4-12(19)9-11)23-18(24-16(14)25)27-13-5-7-20-8-6-13/h2-10H,1H3,(H,22,23,24,26)