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

Systemtic Name: N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-methylsulfonyl-quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-6-methylsulfonyl-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-6-methylsulfonylquinazolin-4-amine Traditional Name: (3-ethynylphenyl)-(6-mesylquinazolin-4-yl)amine Formula: C17H13N3O2S MolecularWeight: 323.36902

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2S/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)