N-[(4-chlorophenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-thiophen-2-yl-propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-(2-thienyl)propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-3-thiophen-2-ylpropanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-3-thiophen-2-ylpropanamide Traditional Name: N-(4-chlorobenzyl)-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-3-(2-thienyl)propionamide Formula: C22H21ClN6OS MolecularWeight: 452.95974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NC(CC3=CC=CS3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NC(CC3=CC=CS3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN6OS/c1-15-11-20(28-22(26-15)29-9-8-24-14-29)27-19(12-18-3-2-10-31-18)21(30)25-13-16-4-6-17(23)7-5-16/h2-11,14,19H,12-13H2,1H3,(H,25,30)(H,26,27,28)