N-(oxolan-2-ylmethyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: N-(2-oxolanylmethyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]-N-(tetrahydrofurfuryl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c27-20(22-14-18-7-4-12-28-18)15-29-21-13-19(23-16-24-21)26-10-8-25(9-11-26)17-5-2-1-3-6-17/h1-3,5-6,13,16,18H,4,7-12,14-15H2,(H,22,27)