4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-N-(4-methoxyphenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-pyrrolidinoethylamino)ethyl]thio]pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Formula: C25H34ClN7O3S MolecularWeight: 548.10056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCC4)Cl

InChI

InChI=1S/C25H34ClN7O3S/c1-18-16-32(13-14-33(18)25(35)28-19-5-7-20(36-2)8-6-19)22-15-21(26)29-24(30-22)37-17-23(34)27-9-12-31-10-3-4-11-31/h5-8,15,18H,3-4,9-14,16-17H2,1-2H3,(H,27,34)(H,28,35)