Cn1c(=O)c2c(-c3ccccc3)n(CCS)cc2n(C)c1=O
Name: 6-(2-mercapto-ethyl)-1,3-dimethyl-5-phenyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILES: Cn1c(=O)c2c(-c3ccccc3)n(CCS)cc2n(C)c1=O

Molecular Processing

Molecular formula
C16H17N3O2S
Molecular weight
315.4
Exact mass
315.1041
XLogP
1.64
TPSA
48.93
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
91.71

Supplementary Information

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