4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-ethoxypropyl)benzenesulfonamide

Systemtic Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-ethoxypropyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-ethoxypropyl)benzenesulfonamide CAS Name: 4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]-N-(3-ethoxypropyl)benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-ethoxypropyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-ethoxypropyl)benzenesulfonamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCCOCC

Isomeric SMILES

CCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCCCOCC

InChI

InChI=1S/C18H24N6O3S/c1-3-20-17-14(12-19)13-21-18(24-17)23-15-6-8-16(9-7-15)28(25,26)22-10-5-11-27-4-2/h6-9,13,22H,3-5,10-11H2,1-2H3,(H2,20,21,23,24)