N-cyclopropyl-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5CC5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5CC5

InChI

InChI=1S/C26H29N5OS/c1-30-13-15-31(16-14-30)24-17-23(20-5-3-2-4-6-20)28-26(29-24)33-18-19-7-9-21(10-8-19)25(32)27-22-11-12-22/h2-10,17,22H,11-16,18H2,1H3,(H,27,32)