7-bromanyl-N-(3-ethynylphenyl)-6-methylsulfanyl-quinazolin-4-amine

Systemtic Name: 7-bromanyl-N-(3-ethynylphenyl)-6-methylsulfanyl-quinazolin-4-amine Openeye Name: 7-bromo-N-(3-ethynylphenyl)-6-methylsulfanyl-quinazolin-4-amine CAS Name: 7-bromo-N-(3-ethynylphenyl)-6-(methylthio)-4-quinazolinamine IUPAC Name: 7-bromo-N-(3-ethynylphenyl)-6-methylsulfanylquinazolin-4-amine Traditional Name: [7-bromo-6-(methylthio)quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C17H12BrN3S MolecularWeight: 370.26628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Br

Isomeric SMILES

CSC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)Br

InChI

InChI=1S/C17H12BrN3S/c1-3-11-5-4-6-12(7-11)21-17-13-8-16(22-2)14(18)9-15(13)19-10-20-17/h1,4-10H,2H3,(H,19,20,21)