6-butoxy-5-[6-oxidanylidene-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]pyridine-3-sulfonyl chloride

Systemtic Name: 6-butoxy-5-[6-oxidanylidene-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]pyridine-3-sulfonyl chloride Openeye Name: 5-(8-benzyl-6-oxo-9-propyl-3H-purin-2-yl)-6-butoxy-pyridine-3-sulfonyl chloride CAS Name: 6-butoxy-5-[6-oxo-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]-3-pyridinesulfonyl chloride IUPAC Name: 5-(8-benzyl-6-oxo-9-propyl-3H-purin-2-yl)-6-butoxypyridine-3-sulfonyl chloride Traditional Name: 5-(8-benzyl-6-keto-9-propyl-3H-purin-2-yl)-6-butoxy-pyridine-3-sulfonyl chloride Formula: C24H26ClN5O4S MolecularWeight: 516.01234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S(=O)(=O)Cl

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)N(C(=N3)CC4=CC=CC=C4)CCC)S(=O)(=O)Cl

InChI

InChI=1S/C24H26ClN5O4S/c1-3-5-12-34-24-18(14-17(15-26-24)35(25,32)33)21-28-22-20(23(31)29-21)27-19(30(22)11-4-2)13-16-9-7-6-8-10-16/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,28,29,31)