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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-2-phenyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-2-phenyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-2-phenylacetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-2-phenylacetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-2-phenyl-acetamide Formula: C30H32N6O2S MolecularWeight: 540.67908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C30H32N6O2S/c1-21-17-22(2)33-30(32-21)39-20-27(37)36(19-23-9-8-16-31-18-23)28(24-10-6-5-7-11-24)29(38)34-25-12-14-26(15-13-25)35(3)4/h5-18,28H,19-20H2,1-4H3,(H,34,38)