3,5-dimethyl-4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(7H-purin-6-yl)-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(7H-purin-6-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(7H-purin-6-yl)piperazino]sulfonyl-isoxazole Formula: C14H17N7O3S MolecularWeight: 363.39488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H17N7O3S/c1-9-12(10(2)24-19-9)25(22,23)21-5-3-20(4-6-21)14-11-13(16-7-15-11)17-8-18-14/h7-8H,3-6H2,1-2H3,(H,15,16,17,18)