3-[4-[6-azanyl-5-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-phenyl]-1,1-dimethyl-thiourea

Systemtic Name: 3-[4-[6-azanyl-5-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-phenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[4-[6-amino-5-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-phenyl]-1,1-dimethyl-thiourea CAS Name: 3-[4-[[6-amino-5-(trifluoromethyl)-4-pyrimidinyl]thio]-3-methylphenyl]-1,1-dimethylthiourea IUPAC Name: 3-[4-[6-amino-5-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methylphenyl]-1,1-dimethylthiourea Traditional Name: 3-[4-[[6-amino-5-(trifluoromethyl)pyrimidin-4-yl]thio]-3-methyl-phenyl]-1,1-dimethyl-thiourea Formula: C15H16F3N5S2 MolecularWeight: 387.44625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(C)C)SC2=NC=NC(=C2C(F)(F)F)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(C)C)SC2=NC=NC(=C2C(F)(F)F)N

InChI

InChI=1S/C15H16F3N5S2/c1-8-6-9(22-14(24)23(2)3)4-5-10(8)25-13-11(15(16,17)18)12(19)20-7-21-13/h4-7H,1-3H3,(H,22,24)(H2,19,20,21)