CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)SC)C3=CC4=C(CCC4)C=C3
Name: ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILES: CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)SC)C3=CC4=C(CCC4)C=C3

Molecular Processing

Molecular formula
C20H19N3O3S
Molecular weight
381.46
Exact mass
381.1147
XLogP
3.17
TPSA
74.08
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
104.9

Supplementary Information

InChIKey: HSYFLCNFMNWCJZ-UHFFFAOYSA-N
Synonyms
SCHEMBL3289970HSYFLCNFMNWCJZ-UHFFFAOYSA-N8-indan-5-yl-2-methylsulfanyl-5-oxo-5, 8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester8-Indan-5-yl-2-methylsulfanyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
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Involved in 4 reactions→

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