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

Systemtic Name: 7-chloranyl-N-(3-ethynylphenyl)-6-phenylsulfanyl-quinazolin-4-amine Openeye Name: 7-chloro-N-(3-ethynylphenyl)-6-phenylsulfanyl-quinazolin-4-amine CAS Name: 7-chloro-N-(3-ethynylphenyl)-6-(phenylthio)-4-quinazolinamine IUPAC Name: 7-chloro-N-(3-ethynylphenyl)-6-phenylsulfanylquinazolin-4-amine Traditional Name: [7-chloro-6-(phenylthio)quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C22H14ClN3S MolecularWeight: 387.88466

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=CC=CC=C4)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H14ClN3S/c1-2-15-7-6-8-16(11-15)26-22-18-12-21(27-17-9-4-3-5-10-17)19(23)13-20(18)24-14-25-22/h1,3-14H,(H,24,25,26)