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2046-68-6 | 6-Pteridinecarboxylic acid, 4-(dimethylamino)-7,8-dihydro-8-methyl-7-oxo-, ethyl ester
CAS No: 2046-68-6 Catalog No: AG0029MD MDL No:
Product Description
Catalog Number:
AG0029MD
Chemical Name:
6-Pteridinecarboxylic acid, 4-(dimethylamino)-7,8-dihydro-8-methyl-7-oxo-, ethyl ester
CAS Number:
2046-68-6
Molecular Formula:
C12H15N5O3
Molecular Weight:
277.2792
IUPAC Name:
ethyl 4-(dimethylamino)-8-methyl-7-oxopteridine-6-carboxylate
InChI:
InChI=1S/C12H15N5O3/c1-5-20-12(19)8-11(18)17(4)10-7(15-8)9(16(2)3)13-6-14-10/h6H,5H2,1-4H3
InChI Key:
QOPAWAGFCYGLOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(ncnc2n(c1=O)C)N(C)C
NSC Number:
73517
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.284g/mol
Monoisotopic Mass:
277.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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