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

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[3-(isopropylamino)propyl]benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[3-(isopropylamino)propyl]benzenesulfonamide Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O2S/c1-12(2)20-8-3-9-22-27(25,26)15-6-4-14(5-7-15)23-17-21-11-13(10-18)16(19)24-17/h4-7,11-12,20,22H,3,8-9H2,1-2H3,(H3,19,21,23,24)