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

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-ethoxypropyl)benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-ethoxypropyl)benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-(3-ethoxypropyl)benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-(3-ethoxypropyl)benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-ethoxypropyl)benzenesulfonamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3S/c1-2-25-9-3-8-20-26(23,24)14-6-4-13(5-7-14)21-16-19-11-12(10-17)15(18)22-16/h4-7,11,20H,2-3,8-9H2,1H3,(H3,18,19,21,22)