[2-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[2-oxidanylidene-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl] methanesulfonate Openeye Name: [2-[[4-(4-isopropylphenyl)-2-oxo-6-prop-2-ynoxy-quinazolin-1-yl]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-1-quinazolinyl]methyl]phenyl] ester IUPAC Name: [2-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-1-yl]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(2-keto-4-p-cumenyl-6-propargyloxy-quinazolin-1-yl)methyl]phenyl] ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=CC=C4OS(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=CC=C4OS(=O)(=O)C

InChI

InChI=1S/C28H26N2O5S/c1-5-16-34-23-14-15-25-24(17-23)27(21-12-10-20(11-13-21)19(2)3)29-28(31)30(25)18-22-8-6-7-9-26(22)35-36(4,32)33/h1,6-15,17,19H,16,18H2,2-4H3