2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-phenyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-phenyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-phenyl-pyrimidin-2-yl]sulfanyl-N'-hydroxy-acetamidine CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-phenyl-2-pyrimidinyl]thio]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-phenylpyrimidin-2-yl]sulfanyl-N'-hydroxyethanimidamide Traditional Name: N'-hydroxy-2-[[4-phenyl-6-(piperonylamino)pyrimidin-2-yl]thio]acetamidine Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC(=C3)C4=CC=CC=C4)SCC(=NO)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC(=C3)C4=CC=CC=C4)SC/C(=N/O)/N

InChI

InChI=1S/C20H19N5O3S/c21-18(25-26)11-29-20-23-15(14-4-2-1-3-5-14)9-19(24-20)22-10-13-6-7-16-17(8-13)28-12-27-16/h1-9,26H,10-12H2,(H2,21,25)(H,22,23,24)