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

Systemtic Name: 4-[(4-butylsulfanyl-5-cyano-pyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide Openeye Name: 4-[(4-butylsulfanyl-5-cyano-pyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide CAS Name: 4-[[4-(butylthio)-5-cyano-2-pyrimidinyl]amino]-N-(2-methoxyethyl)benzenesulfonamide IUPAC Name: 4-[(4-butylsulfanyl-5-cyanopyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide Traditional Name: 4-[[4-(butylthio)-5-cyano-pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S2/c1-3-4-11-27-17-14(12-19)13-20-18(23-17)22-15-5-7-16(8-6-15)28(24,25)21-9-10-26-2/h5-8,13,21H,3-4,9-11H2,1-2H3,(H,20,22,23)