4-[(4-butylsulfanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide

Systemtic Name: 4-[(4-butylsulfanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[(4-butylsulfanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[[4-(butylthio)-5-cyano-2-pyrimidinyl]amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[(4-butylsulfanyl-5-cyanopyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[[4-(butylthio)-5-cyano-pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCCOC

Isomeric SMILES

CCCCSC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCCOC

InChI

InChI=1S/C19H25N5O3S2/c1-3-4-12-28-18-15(13-20)14-21-19(24-18)23-16-6-8-17(9-7-16)29(25,26)22-10-5-11-27-2/h6-9,14,22H,3-5,10-12H2,1-2H3,(H,21,23,24)