3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-homoveratryl-benzamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4)OC

InChI

InChI=1S/C26H29ClN4O3S/c1-33-21-9-8-18(15-22(21)34-2)10-11-28-25(32)20-7-5-6-19(14-20)17-35-26-29-23(27)16-24(30-26)31-12-3-4-13-31/h5-9,14-16H,3-4,10-13,17H2,1-2H3,(H,28,32)