N-(3-methoxypropyl)-3-[(6-methylsulfanyl-2-pyridin-3-yl-pyrimidin-4-yl)amino]butanamide

Systemtic Name: N-(3-methoxypropyl)-3-[(6-methylsulfanyl-2-pyridin-3-yl-pyrimidin-4-yl)amino]butanamide Openeye Name: N-(3-methoxypropyl)-3-[[6-methylsulfanyl-2-(3-pyridyl)pyrimidin-4-yl]amino]butanamide CAS Name: N-(3-methoxypropyl)-3-[[6-(methylthio)-2-(3-pyridinyl)-4-pyrimidinyl]amino]butanamide IUPAC Name: N-(3-methoxypropyl)-3-[(6-methylsulfanyl-2-pyridin-3-ylpyrimidin-4-yl)amino]butanamide Traditional Name: N-(3-methoxypropyl)-3-[[6-(methylthio)-2-(3-pyridyl)pyrimidin-4-yl]amino]butyramide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCCOC)NC1=CC(=NC(=N1)C2=CN=CC=C2)SC

Isomeric SMILES

CC(CC(=O)NCCCOC)NC1=CC(=NC(=N1)C2=CN=CC=C2)SC

InChI

InChI=1S/C18H25N5O2S/c1-13(10-16(24)20-8-5-9-25-2)21-15-11-17(26-3)23-18(22-15)14-6-4-7-19-12-14/h4,6-7,11-13H,5,8-10H2,1-3H3,(H,20,24)(H,21,22,23)