2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-cyclopropyl-quinazolin-4-amine

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-cyclopropyl-quinazolin-4-amine Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-cyclopropyl-quinazolin-4-amine CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-cyclopropyl-4-quinazolinamine IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-cyclopropylquinazolin-4-amine Traditional Name: [2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]quinazolin-4-yl]-cyclopropyl-amine Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C19H16ClN3O2S/c20-14-7-11(8-16-17(14)25-10-24-16)9-26-19-22-15-4-2-1-3-13(15)18(23-19)21-12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,21,22,23)