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

Systemtic Name: 7-chloranyl-N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine Openeye Name: 7-chloro-N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine CAS Name: 7-chloro-N-(3-ethynylphenyl)-6-methylsulfonyl-4-quinazolinamine IUPAC Name: 7-chloro-N-(3-ethynylphenyl)-6-methylsulfonylquinazolin-4-amine Traditional Name: (7-chloro-6-mesyl-quinazolin-4-yl)-(3-ethynylphenyl)amine Formula: C17H12ClN3O2S MolecularWeight: 357.81408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O2S/c1-3-11-5-4-6-12(7-11)21-17-13-8-16(24(2,22)23)14(18)9-15(13)19-10-20-17/h1,4-10H,2H3,(H,19,20,21)