N-(3-ethynylphenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxy-quinazolin-2-amine

Systemtic Name: N-(3-ethynylphenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxy-quinazolin-2-amine Openeye Name: N-(3-ethynylphenyl)-7-methoxy-6-[(1-methylsulfonyl-4-piperidyl)oxy]quinazolin-2-amine CAS Name: N-(3-ethynylphenyl)-7-methoxy-6-[(1-methylsulfonyl-4-piperidinyl)oxy]-2-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-amine Traditional Name: (3-ethynylphenyl)-[6-[(1-mesyl-4-piperidyl)oxy]-7-methoxy-quinazolin-2-yl]amine Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=NC(=NC2=C1)NC3=CC=CC(=C3)C#C)OC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C=NC(=NC2=C1)NC3=CC=CC(=C3)C#C)OC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H24N4O4S/c1-4-16-6-5-7-18(12-16)25-23-24-15-17-13-22(21(30-2)14-20(17)26-23)31-19-8-10-27(11-9-19)32(3,28)29/h1,5-7,12-15,19H,8-11H2,2-3H3,(H,24,25,26)