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885268-99-5 | Thieno[2,3-d]pyrimidine-6-propanamide,4-amino-
CAS No: 885268-99-5 Catalog No: AG004814 MDL No:
Product Description
Catalog Number:
AG004814
Chemical Name:
Thieno[2,3-d]pyrimidine-6-propanamide,4-amino-
CAS Number:
885268-99-5
Molecular Formula:
C9H10N4OS
Molecular Weight:
222.2669
IUPAC Name:
3-(4-aminothieno[2,3-d]pyrimidin-6-yl)propanamide
InChI:
InChI=1S/C9H10N4OS/c10-7(14)2-1-5-3-6-8(11)12-4-13-9(6)15-5/h3-4H,1-2H2,(H2,10,14)(H2,11,12,13)
InChI Key:
JNXVZNSDGXNJMX-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1sc2c(c1)c(N)ncn2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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