Name: Name:Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 7,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000MIM
Rating: 90 (10 reviews)

Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 7,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester

CAS No.:

1246471-43-1

Catalog Number:

AG000MIM

Molecular Formula:

C13H19N3O2S

Molecular Weight:

281.3739

Catalog Number:

AG000MIM

Chemical Name:

Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 7,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester

CAS Number:

1246471-43-1

Molecular Formula:

C13H19N3O2S

Molecular Weight:

281.3739

MDL Number:

MFCD17171380

IUPAC Name:

tert-butyl 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate

InChI:

InChI=1S/C13H19N3O2S/c1-13(2,3)18-12(17)16-7-5-6-9-10(16)8-14-11(15-9)19-4/h8H,5-7H2,1-4H3

InChI Key:

WTQQJKUBDRUCJD-UHFFFAOYSA-N

SMILES:

CSc1ncc2c(n1)CCCN2C(=O)OC(C)(C)C

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.374g/mol

Monoisotopic Mass:

281.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2