이름: 8-(2,5-dimethoxyphenyl)sulfanyl-7H-purin-6-amine
SMILES:
COc1ccc(OC)c(Sc2nc3c(N)ncnc3[nH]2)c1Molecular Processing
Molecular formula
C13H13N5O2S
Molecular weight
303.35
Exact mass
303.079
XLogP
2.1
TPSA
98.94
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
79.77
Supplementary Information
InChIKey: ABINBZDABPSSNX-UHFFFAOYSA-N
동의어
SCHEMBL1966212ABINBZDABPSSNX-UHFFFAOYSA-N8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine
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