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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-propyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-propyl-pyrimidin-2-yl]sulfanyl-N'-hydroxy-acetamidine CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-propyl-2-pyrimidinyl]thio]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-propylpyrimidin-2-yl]sulfanyl-N'-hydroxyethanimidamide Traditional Name: N'-hydroxy-2-[[4-(piperonylamino)-6-propyl-pyrimidin-2-yl]thio]acetamidine Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=NO)N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC/C(=N/O)/N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N5O3S/c1-2-3-12-7-16(21-17(20-12)26-9-15(18)22-23)19-8-11-4-5-13-14(6-11)25-10-24-13/h4-7,23H,2-3,8-10H2,1H3,(H2,18,22)(H,19,20,21)