ethyl 4-azanyl-2-[2-[[4-(cyclohexylcarbonylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[4-(cyclohexylcarbonylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(cyclohexanecarbonylamino)-3-methyl-anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-[[cyclohexyl(oxo)methyl]amino]-3-methylanilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-(cyclohexanecarbonylamino)-3-methylanilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[4-(cyclohexanecarbonylamino)-3-methyl-anilino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)NC(=O)C3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2)NC(=O)C3CCCCC3)C

InChI

InChI=1S/C23H29N5O4S/c1-3-32-22(31)17-12-25-23(28-20(17)24)33-13-19(29)26-16-9-10-18(14(2)11-16)27-21(30)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,26,29)(H,27,30)(H2,24,25,28)