Name: Name:(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
Brand: Angene
SKU: AG00C6IF
Rating: 90 (10 reviews)

(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)

CAS No.:

330785-81-4

Catalog Number:

AG00C6IF

Molecular Formula:

C16H18ClN3O3S

Molecular Weight:

367.8504

Catalog Number:

AG00C6IF

Chemical Name:

(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)

CAS Number:

330785-81-4

Molecular Formula:

C16H18ClN3O3S

Molecular Weight:

367.8504

MDL Number:

MFCD17012695

IUPAC Name:

ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate

InChI:

InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)

InChI Key:

WLOQDGSMJNYRRC-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc(nc1NCc1ccc(c(c1)Cl)OC)SC

EC Number:

801-713-7

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

367.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

367.848g/mol

Monoisotopic Mass:

367.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2