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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(3-methylbutyl)-3-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-isopentyl-3-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-2-(3-methylbutyl)-3-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(3-methylbutyl)-3-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-isoamyl-3-(1H-1,2,4-triazol-5-ylsulfonyl)guanidine Formula: C14H22N8O2S MolecularWeight: 366.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC(C)C)NS(=O)(=O)C2=NC=NN2)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC(C)C)NS(=O)(=O)C2=NC=NN2)C

InChI

InChI=1S/C14H22N8O2S/c1-9(2)5-6-15-12(20-13-18-10(3)7-11(4)19-13)22-25(23,24)14-16-8-17-21-14/h7-9H,5-6H2,1-4H3,(H,16,17,21)(H2,15,18,19,20,22)