C1=CC2=NC=NC=C2C=C1CNC3=NC(=CN=C3N)Br
이름: 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
SMILES: C1=CC2=NC=NC=C2C=C1CNC3=NC(=CN=C3N)Br

Molecular Processing

Molecular formula
C13H11BrN6
Molecular weight
331.18
Exact mass
330.0229
XLogP
2.38
TPSA
89.61
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
81.01

Supplementary Information

InChIKey: DUJLSGQCBHKTTN-UHFFFAOYSA-N
동의어
SCHEMBL12165527DUJLSGQCBHKTTN-UHFFFAOYSA-N5-Bromo-N*3*-quinazolin-6-ylmethyl-pyrazine-2,3-diamine
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