4-azanylidene-1,3-dimethyl-6-[piperidin-3-ylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanylidene-1,3-dimethyl-6-[piperidin-3-ylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-imino-1,3-dimethyl-6-[3-piperidylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-imino-1,3-dimethyl-6-[3-piperidinylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-imino-1,3-dimethyl-6-[piperidin-3-ylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-imino-1,3-dimethyl-6-[3-piperidylmethyl-[4-(trifluoromethyl)benzyl]amino]-2-thioxo-pyrimidine-5-carbonitrile Formula: C21H25F3N6S MolecularWeight: 450.52361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CC2CCCNC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N)N(C1=S)C)C#N)N(CC2CCCNC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N6S/c1-28-18(26)17(10-25)19(29(2)20(28)31)30(13-15-4-3-9-27-11-15)12-14-5-7-16(8-6-14)21(22,23)24/h5-8,15,26-27H,3-4,9,11-13H2,1-2H3