N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-3-methyl-butanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-3-methylbutanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-3-methylbutanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-3-methyl-butyramide Formula: C27H34N6O2S MolecularWeight: 506.66286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C27H34N6O2S/c1-18(2)25(26(35)31-22-9-11-23(12-10-22)32(5)6)33(16-21-8-7-13-28-15-21)24(34)17-36-27-29-19(3)14-20(4)30-27/h7-15,18,25H,16-17H2,1-6H3,(H,31,35)