[7-methoxy-4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazolin-6-yl] methanesulfonate

Systemtic Name: [7-methoxy-4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazolin-6-yl] methanesulfonate Openeye Name: [7-methoxy-4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazolin-6-yl] methanesulfonate CAS Name: methanesulfonic acid [7-methoxy-4-[4-[oxo-(4-phenoxyanilino)methyl]-1-piperazinyl]-6-quinazolinyl] ester IUPAC Name: [7-methoxy-4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazolin-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [7-methoxy-4-[4-[(4-phenoxyphenyl)carbamoyl]piperazino]quinazolin-6-yl] ester Formula: C27H27N5O6S MolecularWeight: 549.59818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)OS(=O)(=O)C

InChI

InChI=1S/C27H27N5O6S/c1-36-24-17-23-22(16-25(24)38-39(2,34)35)26(29-18-28-23)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)37-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)