Name: Name:tert-Butyl 4-oxo-5,7-dihydro-3h-pyrrolo[3,4-d]pyrimidine-6(4h)-carboxylate
Brand: Angene
SKU: AG000JSU
Rating: 90 (10 reviews)

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

CAS No.:

1229455-14-4

Catalog Number:

AG000JSU

Molecular Formula:

C11H15N3O3

Molecular Weight:

237.2551

Catalog Number:

AG000JSU

Chemical Name:

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

CAS Number:

1229455-14-4

Molecular Formula:

C11H15N3O3

Molecular Weight:

237.2551

MDL Number:

MFCD22571335

IUPAC Name:

tert-butyl 4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

InChI:

InChI=1S/C11H15N3O3/c1-11(2,3)17-10(16)14-4-7-8(5-14)12-6-13-9(7)15/h6H,4-5H2,1-3H3,(H,12,13,15)

InChI Key:

BXXXVYDHJCLIKQ-UHFFFAOYSA-N

SMILES:

O=C(N1Cc2c(C1)nc[nH]c2=O)OC(C)(C)C

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.259g/mol

Monoisotopic Mass:

237.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4