3-(6-oxidanylidene-8-pyridin-3-yl-3H-purin-9-yl)-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-(6-oxidanylidene-8-pyridin-3-yl-3H-purin-9-yl)-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-[6-oxo-8-(3-pyridyl)-3H-purin-9-yl]-4-propoxy-benzenesulfonyl chloride CAS Name: 3-[6-oxo-8-(3-pyridinyl)-3H-purin-9-yl]-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-(6-oxo-8-pyridin-3-yl-3H-purin-9-yl)-4-propoxybenzenesulfonyl chloride Traditional Name: 3-[6-keto-8-(3-pyridyl)-3H-purin-9-yl]-4-propoxy-benzenesulfonyl chloride Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)N2C3=C(C(=O)N=CN3)N=C2C4=CN=CC=C4

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)N2C3=C(C(=O)N=CN3)N=C2C4=CN=CC=C4

InChI

InChI=1S/C19H16ClN5O4S/c1-2-8-29-15-6-5-13(30(20,27)28)9-14(15)25-17(12-4-3-7-21-10-12)24-16-18(25)22-11-23-19(16)26/h3-7,9-11H,2,8H2,1H3,(H,22,23,26)