Name: Name:tert-Butyl 2-(methylthio)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
Brand: Angene
SKU: AG003N3B
Rating: 90 (10 reviews)

tert-Butyl 2-(methylthio)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

CAS No.:

365996-86-7

Catalog Number:

AG003N3B

Molecular Formula:

C12H17N3O2S

Molecular Weight:

267.3473

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Purity

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Price(USD)

Quantity

≥95%

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United States

$248

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Catalog Number:

AG003N3B

Chemical Name:

tert-Butyl 2-(methylthio)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

CAS Number:

365996-86-7

Molecular Formula:

C12H17N3O2S

Molecular Weight:

267.3473

MDL Number:

MFCD13185178

IUPAC Name:

tert-butyl 2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

InChI:

InChI=1S/C12H17N3O2S/c1-12(2,3)17-11(16)15-6-8-5-13-10(18-4)14-9(8)7-15/h5H,6-7H2,1-4H3

InChI Key:

WYPNWMDBICFBAM-UHFFFAOYSA-N

SMILES:

CSc1ncc2c(n1)CN(C2)C(=O)OC(C)(C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.347g/mol

Monoisotopic Mass:

267.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3