N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine hydrochloride Openeye Name: N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-6-methylsulfonyl-4-quinazolinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-6-methylsulfonylquinazolin-4-amine hydrochloride Traditional Name: (3-ethynylphenyl)-(6-mesylquinazolin-4-yl)amine hydrochloride Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C.Cl

InChI

InChI=1S/C17H13N3O2S.ClH/c1-3-12-5-4-6-13(9-12)20-17-15-10-14(23(2,21)22)7-8-16(15)18-11-19-17;/h1,4-11H,2H3,(H,18,19,20);1H