4-[6-chloranyl-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-[homoveratryl(methyl)amino]-2-keto-ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C25H35ClN6O4S MolecularWeight: 551.1012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C25H35ClN6O4S/c1-5-9-27-25(34)32-13-11-31(12-14-32)22-16-21(26)28-24(29-22)37-17-23(33)30(2)10-8-18-6-7-19(35-3)20(15-18)36-4/h6-7,15-16H,5,8-14,17H2,1-4H3,(H,27,34)