butyl 4-[(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(5-chloro-2-propylsulfanyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(propylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-2-propylsulfanylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[5-chloro-2-(propylthio)pyrimidine-4-carbonyl]amino]benzoic acid butyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCCC

InChI

InChI=1S/C19H22ClN3O3S/c1-3-5-10-26-18(25)13-6-8-14(9-7-13)22-17(24)16-15(20)12-21-19(23-16)27-11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,24)