N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-3-23(4-2)16-8-15(19)21-18(22-16)27-10-17(24)20-9-12-5-6-13-14(7-12)26-11-25-13/h5-8H,3-4,9-11H2,1-2H3,(H,20,24)