1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]guanidine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]guanidine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]guanidine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]guanidine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]guanidine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]guanidine Formula: C18H14F3N5O2S MolecularWeight: 421.39627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=NC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N/C(=N/C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)/N

InChI

InChI=1S/C18H14F3N5O2S/c19-18(20,21)15-9-11(14-2-1-7-29-14)24-17(25-15)26-16(22)23-10-3-4-12-13(8-10)28-6-5-27-12/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26)