N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-methylpiperazino)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N5O3S/c1-23-6-8-24(9-7-23)17-4-5-20-19(22-17)28-12-18(25)21-11-14-2-3-15-16(10-14)27-13-26-15/h2-5,10H,6-9,11-13H2,1H3,(H,21,25)