3-tert-butylsulfanyl-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-tert-butylsulfanyl-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-tert-butylsulfanyl-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-(tert-butylthio)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-tert-butylsulfanyl-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-(tert-butylthio)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-homoveratryl-propionamide Formula: C24H31ClN6O3S MolecularWeight: 519.05934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC2=CC(=NC(=N2)N3C=CN=C3)Cl

Isomeric SMILES

CC(C)(C)SCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC2=CC(=NC(=N2)N3C=CN=C3)Cl

InChI

InChI=1S/C24H31ClN6O3S/c1-24(2,3)35-14-17(28-21-13-20(25)29-23(30-21)31-11-10-26-15-31)22(32)27-9-8-16-6-7-18(33-4)19(12-16)34-5/h6-7,10-13,15,17H,8-9,14H2,1-5H3,(H,27,32)(H,28,29,30)