4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-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-piperidin-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-(1-piperidyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-N-(4-methoxyphenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-piperidinoethylamino)ethyl]thio]pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Formula: C26H36ClN7O3S MolecularWeight: 562.12714

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)NCCN4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCN4CCCCC4)Cl

InChI

InChI=1S/C26H36ClN7O3S/c1-19-17-33(14-15-34(19)26(36)29-20-6-8-21(37-2)9-7-20)23-16-22(27)30-25(31-23)38-18-24(35)28-10-13-32-11-4-3-5-12-32/h6-9,16,19H,3-5,10-15,17-18H2,1-2H3,(H,28,35)(H,29,36)