CN1C=NC(=C1C2=CC3=C(N=CN=C3S2)N)C4=CC(=CC=C4)I
CAS: 655254-53-8
الاسم: 6-[5-(3-iodophenyl)-3-methylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILES: CN1C=NC(=C1C2=CC3=C(N=CN=C3S2)N)C4=CC(=CC=C4)I

Molecular Processing

Molecular formula
C16H12IN5S
Molecular weight
433.28
Exact mass
432.9858
XLogP
3.95
TPSA
69.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
102.18

Supplementary Information

InChIKey: LKBMDJZBDYKDDU-UHFFFAOYSA-N
مرادفات
6-(4-(3-iodophenyl)-1-methyl-1H-imidazol-5-yl)thieno[2,3-d]pyrimidin-4-amine6-[4-(3-Iodophenyl)-1-methyl-1H-imidazol-5-yl]thieno[2,3-d]pyrimidin-4-amineSCHEMBL4481073LKBMDJZBDYKDDU-UHFFFAOYSA-N655254-53-8DB-296322
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