N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-methylsulfanyl-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-methylsulfanyl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-methylsulfanyl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(methylthio)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-methylsulfanylquinazolin-4-amine Traditional Name: [6-chloro-2-(methylthio)quinazolin-4-yl]-piperonyl-amine Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14ClN3O2S/c1-24-17-20-13-4-3-11(18)7-12(13)16(21-17)19-8-10-2-5-14-15(6-10)23-9-22-14/h2-7H,8-9H2,1H3,(H,19,20,21)