4-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C18H28N6O2S MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)(C)C)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C)(C)C)N

InChI

InChI=1S/C18H28N6O2S/c1-6-24(7-2)27(25,26)14-10-8-13(9-11-14)22-16-15(19)17(21-12-20-16)23-18(3,4)5/h8-12H,6-7,19H2,1-5H3,(H2,20,21,22,23)