7-chloranyl-N-(3-ethynylphenyl)-6-(2-methylsulfanylethylsulfanyl)quinazolin-4-amine

Systemtic Name: 7-chloranyl-N-(3-ethynylphenyl)-6-(2-methylsulfanylethylsulfanyl)quinazolin-4-amine Openeye Name: 7-chloro-N-(3-ethynylphenyl)-6-(2-methylsulfanylethylsulfanyl)quinazolin-4-amine CAS Name: 7-chloro-N-(3-ethynylphenyl)-6-[2-(methylthio)ethylthio]-4-quinazolinamine IUPAC Name: 7-chloro-N-(3-ethynylphenyl)-6-(2-methylsulfanylethylsulfanyl)quinazolin-4-amine Traditional Name: [7-chloro-6-[2-(methylthio)ethylthio]quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C19H16ClN3S2 MolecularWeight: 385.93344

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Descriptors Computed from Structure

Canonical SMILES:

CSCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Cl

Isomeric SMILES

CSCCSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Cl

InChI

InChI=1S/C19H16ClN3S2/c1-3-13-5-4-6-14(9-13)23-19-15-10-18(25-8-7-24-2)16(20)11-17(15)21-12-22-19/h1,4-6,9-12H,7-8H2,2H3,(H,21,22,23)