CNC1=CC=C(C=C1)N2CNC3=C(C2=N)C=CS3
Name: 4-(4-imino-1,2-dihydrothieno[2,3-d]pyrimidin-3-yl)-N-methylaniline
SMILES: CNC1=CC=C(C=C1)N2CNC3=C(C2=N)C=CS3

Molecular Processing

Molecular formula
C13H14N4S
Molecular weight
258.35
Exact mass
258.0939
XLogP
3
TPSA
51.15
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
78.11

Supplementary Information

InChIKey: HOBIVVKKYBTEIV-UHFFFAOYSA-N
Synonyme
SCHEMBL4834301WVISGJRBZJDBSP-UHFFFAOYSA-N4-amino-3-(4-(methylamino)phenyl)-thieno[2,3-d]pyrimidine
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