N3-[4-[4-(dimethylaminomethyl)pyrazol-1-yl]oxybutyl]-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N3-[4-[4-(dimethylaminomethyl)pyrazol-1-yl]oxybutyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[4-[4-(dimethylaminomethyl)pyrazol-1-yl]oxybutyl]-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[4-[[4-(dimethylaminomethyl)-1-pyrazolyl]oxy]butyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[4-[4-(dimethylaminomethyl)pyrazol-1-yl]oxybutyl]-1,2,5-thiadiazole-3,4-diamine Traditional Name: [1-[4-[(4-amino-1,2,5-thiadiazol-3-yl)amino]butoxy]pyrazol-4-yl]methyl-dimethyl-amine Formula: C12H21N7OS MolecularWeight: 311.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CN(N=C1)OCCCCNC2=NSN=C2N

Isomeric SMILES

CN(C)CC1=CN(N=C1)OCCCCNC2=NSN=C2N

InChI

InChI=1S/C12H21N7OS/c1-18(2)8-10-7-15-19(9-10)20-6-4-3-5-14-12-11(13)16-21-17-12/h7,9H,3-6,8H2,1-2H3,(H2,13,16)(H,14,17)