4-[1-azanyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)ethyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)ethyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]ethyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]ethyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-2-[[2-(2-pyrimidylthio)acetyl]amino]ethyl]-N-(4-pyridyl)benzamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NCC(C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)N

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NCC(C2=CC=C(C=C2)C(=O)NC3=CC=NC=C3)N

InChI

InChI=1S/C20H20N6O2S/c21-17(12-25-18(27)13-29-20-23-8-1-9-24-20)14-2-4-15(5-3-14)19(28)26-16-6-10-22-11-7-16/h1-11,17H,12-13,21H2,(H,25,27)(H,22,26,28)