N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-9H-xanthene-9-carboxamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H27N5O3/c1-29-11-13-30(14-12-29)22-16-23(28-17-27-22)32-15-10-26-25(31)24-18-6-2-4-8-20(18)33-21-9-5-3-7-19(21)24/h2-9,16-17,24H,10-15H2,1H3,(H,26,31)