3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-benzenesulfonamide

Systemtic Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-benzenesulfonamide Openeye Name: 3-(3-isobutyl-1-methyl-2,6-dioxo-7H-purin-8-yl)-4-propoxy-benzenesulfonamide CAS Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxybenzenesulfonamide IUPAC Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxybenzenesulfonamide Traditional Name: 3-(3-isobutyl-2,6-diketo-1-methyl-7H-purin-8-yl)-4-propoxy-benzenesulfonamide Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N)C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N)C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28)