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1142188-60-0 | Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1142188-60-0 Catalog No: AG000AUV MDL No:MFCD14706082
Product Description
Catalog Number:
AG000AUV
Chemical Name:
Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1142188-60-0
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD14706082
IUPAC Name:
tert-butyl 4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-8-9(6-15)13-7-14-10(8)16/h7H,4-6H2,1-3H3,(H,13,14,16)
InChI Key:
UHNCQJLEINZUNT-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc[nH]c2=O)OC(C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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