N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-methylisoxazol-5-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3-methyl-5-isoxazolyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(3-methylisoxazol-5-yl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2S/c1-15-11-19(28-24-15)23-18(27)13-29-20-12-17(21-14-22-20)26-9-7-25(8-10-26)16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)