4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[2-(isopropylamino)ethyl]benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[2-(isopropylamino)ethyl]benzenesulfonamide Formula: C16H21N7O2S MolecularWeight: 375.44864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O2S/c1-11(2)19-7-8-21-26(24,25)14-5-3-13(4-6-14)22-16-20-10-12(9-17)15(18)23-16/h3-6,10-11,19,21H,7-8H2,1-2H3,(H3,18,20,22,23)