4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(oxolan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 4-[[4-(butylamino)-5-cyano-2-pyrimidinyl]amino]-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 4-[[4-(butylamino)-5-cyanopyrimidin-2-yl]amino]-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[[4-(butylamino)-5-cyano-pyrimidin-2-yl]amino]-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C20H26N6O3S/c1-2-3-10-22-19-15(12-21)13-23-20(26-19)25-16-6-8-18(9-7-16)30(27,28)24-14-17-5-4-11-29-17/h6-9,13,17,24H,2-5,10-11,14H2,1H3,(H2,22,23,25,26)