2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-butanamide Openeye Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanyl-butanamide CAS Name: 2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: 2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-homoveratryl-4-(methylthio)butyramide Formula: C22H27ClN6O3S MolecularWeight: 491.00618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O3S/c1-31-17-5-4-15(12-18(17)32-2)6-8-25-21(30)16(7-11-33-3)26-20-13-19(23)27-22(28-20)29-10-9-24-14-29/h4-5,9-10,12-14,16H,6-8,11H2,1-3H3,(H,25,30)(H,26,27,28)