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

Systemtic Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[[5-cyano-4-(cyclopropylamino)-2-pyrimidinyl]amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

Isomeric SMILES

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

InChI

InChI=1S/C18H22N6O3S/c1-27-10-2-9-21-28(25,26)16-7-5-15(6-8-16)23-18-20-12-13(11-19)17(24-18)22-14-3-4-14/h5-8,12,14,21H,2-4,9-10H2,1H3,(H2,20,22,23,24)