1-butoxy-3-(4,6-dimethylpyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine

Systemtic Name: 1-butoxy-3-(4,6-dimethylpyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Openeye Name: 1-butoxy-3-(4,6-dimethylpyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine CAS Name: 1-butoxy-3-(4,6-dimethyl-2-pyrimidinyl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine IUPAC Name: 1-butoxy-3-(4,6-dimethylpyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Traditional Name: 1-butoxy-3-(4,6-dimethylpyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Formula: C13H20N8O3S MolecularWeight: 368.4147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCONC(=NS(=O)(=O)C1=NC=NN1)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCON/C(=N\S(=O)(=O)C1=NC=NN1)/NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C13H20N8O3S/c1-4-5-6-24-20-12(18-11-16-9(2)7-10(3)17-11)21-25(22,23)13-14-8-15-19-13/h7-8H,4-6H2,1-3H3,(H,14,15,19)(H2,16,17,18,20,21)