CC1=CSC2=C1C(=NC(=N2)C3=CC=NO3)Cl
الاسم: 5-(4-chloro-5-methylthieno[2,3-d]pyrimidin-2-yl)-1,2-oxazole
SMILES: CC1=CSC2=C1C(=NC(=N2)C3=CC=NO3)Cl

Molecular Processing

Molecular formula
C10H6ClN3OS
Molecular weight
251.7
Exact mass
250.992
XLogP
3.31
TPSA
51.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
62.66

Supplementary Information

InChIKey: USWGRWJYYZRROE-UHFFFAOYSA-N
مرادفات
SCHEMBL5129190USWGRWJYYZRROE-UHFFFAOYSA-N4-chloro-2-(isoxazol-5-yl)-5-methyl-thieno-[2,3-d]-pyrimidine
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