CSC1=C(C(=O)NC(=N1)CC2=CSC=C2)C#N
Nom: 4-methylsulfanyl-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-5-carbonitrile
SMILES: CSC1=C(C(=O)NC(=N1)CC2=CSC=C2)C#N

Molecular 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
Synonymes
SCHEMBL213516GPTCZNALMHJHGT-UHFFFAOYSA-N4-(methylsulphanyl)-6-oxo-2-(3-thienylmethyl)-1,6-dihydropyrimidine-5-carbonitrile
Voir la source →
Impliqué dans 46 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→