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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O3S/c1-3-7-25(8-4-2)18-10-17(21)23-20(24-18)29-12-19(26)22-11-14-5-6-15-16(9-14)28-13-27-15/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,22,26)