1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]ethanone Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5CCCO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5CCCO5

InChI

InChI=1S/C26H31N5O3S/c1-33-23-11-5-4-10-22(23)30-12-14-31(15-13-30)24(32)18-35-26-28-21-9-3-2-8-20(21)25(29-26)27-17-19-7-6-16-34-19/h2-5,8-11,19H,6-7,12-18H2,1H3,(H,27,28,29)