Nc1ccnc(SCCCCN2C(=O)c3ccccc3C2=O)n1
الاسم: 4-amino-2-(4-phthalimidobutylthio)pyrimidine
SMILES: Nc1ccnc(SCCCCN2C(=O)c3ccccc3C2=O)n1

Molecular Processing

Molecular formula
C16H16N4O2S
Molecular weight
328.4
Exact mass
328.0994
XLogP
2.23
TPSA
89.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
88.21

Supplementary Information

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