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

Systemtic Name: 4-[(4-but-3-ynoxy-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[(4-but-3-ynoxy-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[(4-but-3-ynoxy-5-cyano-2-pyrimidinyl)amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[(4-but-3-ynoxy-5-cyanopyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[(4-but-3-ynoxy-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S/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/h1,6-9,14,22H,4-5,10-12H2,2H3,(H,21,23,24)