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1422057-40-6 | Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-hydroxy-5-methyl-1-phenyl-
CAS No: 1422057-40-6 Catalog No: AG001HYL MDL No:
Product Description
Catalog Number:
AG001HYL
Chemical Name:
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-hydroxy-5-methyl-1-phenyl-
CAS Number:
1422057-40-6
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
IUPAC Name:
3-hydroxy-5-methyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C13H10N2O3S/c1-8-7-19-12-10(8)11(16)15(18)13(17)14(12)9-5-3-2-4-6-9/h2-7,18H,1H3
InChI Key:
QKYZQKJXAKNEPA-UHFFFAOYSA-N
SMILES:
Cc1csc2c1c(=O)n(c(=O)n2c1ccccc1)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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