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

Systemtic Name: N,N-bis(2-hydroxyethyl)-3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-benzenesulfonamide Openeye Name: N,N-bis(2-hydroxyethyl)-3-(3-isobutyl-1-methyl-2,6-dioxo-7H-purin-8-yl)-4-propoxy-benzenesulfonamide CAS Name: N,N-bis(2-hydroxyethyl)-3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxybenzenesulfonamide IUPAC Name: N,N-bis(2-hydroxyethyl)-3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]-4-propoxybenzenesulfonamide Traditional Name: N,N-bis(2-hydroxyethyl)-3-(3-isobutyl-2,6-diketo-1-methyl-7H-purin-8-yl)-4-propoxy-benzenesulfonamide Formula: C23H33N5O7S MolecularWeight: 523.60242

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H33N5O7S/c1-5-12-35-18-7-6-16(36(33,34)27(8-10-29)9-11-30)13-17(18)20-24-19-21(25-20)28(14-15(2)3)23(32)26(4)22(19)31/h6-7,13,15,29-30H,5,8-12,14H2,1-4H3,(H,24,25)