2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide CAS Name: 2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[(4-methoxyphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: 2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-4-(methylthio)-N-p-anisyl-butyramide Formula: C20H23ClN6O2S MolecularWeight: 446.95362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CCSC)NC2=CC(=NC(=N2)N3C=CN=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(CCSC)NC2=CC(=NC(=N2)N3C=CN=C3)Cl

InChI

InChI=1S/C20H23ClN6O2S/c1-29-15-5-3-14(4-6-15)12-23-19(28)16(7-10-30-2)24-18-11-17(21)25-20(26-18)27-9-8-22-13-27/h3-6,8-9,11,13,16H,7,10,12H2,1-2H3,(H,23,28)(H,24,25,26)