(3-methylthiophen-2-yl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone

Systemtic Name: (3-methylthiophen-2-yl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: [4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-(3-methyl-2-thienyl)methanone CAS Name: (3-methyl-2-thiophenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: (3-methyl-2-thienyl)-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)methanone Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2=NC3=C(C=C(C=C3)OCC#C)C(=N2)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)C2=NC3=C(C=C(C=C3)OCC#C)C(=N2)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H22N2O2S/c1-5-13-30-20-10-11-22-21(15-20)23(19-8-6-18(7-9-19)16(2)3)28-26(27-22)24(29)25-17(4)12-14-31-25/h1,6-12,14-16H,13H2,2-4H3