2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-methyl-quinazolin-4-amine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-methyl-quinazolin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-methyl-quinazolin-4-amine CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-methyl-4-quinazolinamine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-methylquinazolin-4-amine Traditional Name: methyl-[2-(piperonylthio)quinazolin-4-yl]amine Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O2S/c1-18-16-12-4-2-3-5-13(12)19-17(20-16)23-9-11-6-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3,(H,18,19,20)