Name: 4-methylsulfanyl-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-5-carbonitrile
SMILES:
CSC1=C(C(=O)NC(=N1)CC2=CSC=C2)C#NMolecular Processing
Molecular formula
C11H9N3OS2
Molecular weight
263.35
Exact mass
263.0187
XLogP
2.02
TPSA
69.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
68.48
Supplementary Information
InChIKey: GPTCZNALMHJHGT-UHFFFAOYSA-N
Synonyme
SCHEMBL213516GPTCZNALMHJHGT-UHFFFAOYSA-N4-(methylsulphanyl)-6-oxo-2-(3-thienylmethyl)-1,6-dihydropyrimidine-5-carbonitrile
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