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

Systemtic Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[[5-cyano-4-(ethylamino)-2-pyrimidinyl]amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-(ethylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3S/c1-3-19-16-13(11-18)12-20-17(23-16)22-14-5-7-15(8-6-14)27(24,25)21-9-4-10-26-2/h5-8,12,21H,3-4,9-10H2,1-2H3,(H2,19,20,22,23)