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

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O3S/c1-24-8-2-7-19-25(22,23)13-5-3-12(4-6-13)20-15-18-10-11(9-16)14(17)21-15/h3-6,10,19H,2,7-8H2,1H3,(H3,17,18,20,21)