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85702-59-6 | METHYL 8-ETHYL-5,6,7,8-TETRAHYDRO-2-(METHYLTHIO)-5-OXOPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
CAS No: 85702-59-6 Catalog No: AG004PPC MDL No:
Product Description
Catalog Number:
AG004PPC
Chemical Name:
METHYL 8-ETHYL-5,6,7,8-TETRAHYDRO-2-(METHYLTHIO)-5-OXOPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
CAS Number:
85702-59-6
Molecular Formula:
C12H15N3O3S
Molecular Weight:
281.3308
IUPAC Name:
methyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C12H15N3O3S/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5,8H,4,6H2,1-3H3
InChI Key:
SUDFURBPZBYNKJ-UHFFFAOYSA-N
SMILES:
CCN1CC(C(=O)OC)C(=O)c2c1nc(SC)nc2
EC Number:
288-250-9
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.33g/mol
Monoisotopic Mass:
281.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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