propyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate

Systemtic Name: propyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: propyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzoic acid propyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C20H25N3O3S/c1-5-12-26-19(25)15-6-8-16(9-7-15)23-18(24)11-10-17-13(2)21-20(27-4)22-14(17)3/h6-9H,5,10-12H2,1-4H3,(H,23,24)