Name: Name:5-Pyrimidinecarboxylic acid, 4-[[(4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester
Brand: Angene
SKU: AG002L8B
Rating: 90 (10 reviews)

5-Pyrimidinecarboxylic acid, 4-[[(4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester

CAS No.:

211230-35-2

Catalog Number:

AG002L8B

Molecular Formula:

C16H19N3O3S

Molecular Weight:

333.4054

Catalog Number:

AG002L8B

Chemical Name:

5-Pyrimidinecarboxylic acid, 4-[[(4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester

CAS Number:

211230-35-2

Molecular Formula:

C16H19N3O3S

Molecular Weight:

333.4054

MDL Number:

MFCD05156568

IUPAC Name:

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

InChI:

InChI=1S/C16H19N3O3S/c1-4-22-15(20)13-10-18-16(23-3)19-14(13)17-9-11-5-7-12(21-2)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)

InChI Key:

NSYZKHHFIPHURY-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc(nc1NCc1ccc(cc1)OC)SC

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.406g/mol

Monoisotopic Mass:

333.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6