2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-[(4-methoxyphenyl)methylamino]-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(p-anisylamino)quinazolin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c1-35-23-13-11-21(12-14-23)19-29-27-24-9-5-6-10-25(24)30-28(31-27)36-20-26(34)33-17-15-32(16-18-33)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H,29,30,31)