2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C21H30ClN5O3S MolecularWeight: 468.0126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H30ClN5O3S/c1-26(2)11-9-23-20(28)14-31-21-24-18(22)13-19(25-21)27(3)10-8-15-6-7-16(29-4)17(12-15)30-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,23,28)