N,N-dimethyl-4-[[6-(propan-2-ylamino)-7H-purin-2-yl]amino]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[[6-(propan-2-ylamino)-7H-purin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(isopropylamino)-7H-purin-2-yl]amino]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[[6-(propan-2-ylamino)-7H-purin-2-yl]amino]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[[6-(propan-2-ylamino)-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[6-(isopropylamino)-7H-purin-2-yl]amino]-N,N-dimethyl-benzenesulfonamide Formula: C16H21N7O2S MolecularWeight: 375.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H21N7O2S/c1-10(2)19-15-13-14(18-9-17-13)21-16(22-15)20-11-5-7-12(8-6-11)26(24,25)23(3)4/h5-10H,1-4H3,(H3,17,18,19,20,21,22)