N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-6-phenyl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-6-phenylpyrimidin-4-amine Traditional Name: [2-(methylthio)-6-phenyl-pyrimidin-4-yl]-piperonyl-amine Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O2S/c1-25-19-21-15(14-5-3-2-4-6-14)10-18(22-19)20-11-13-7-8-16-17(9-13)24-12-23-16/h2-10H,11-12H2,1H3,(H,20,21,22)