3-[4-[[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid

Systemtic Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-[[7-methoxy-6-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinyl]amino]-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-[[7-methoxy-6-[3-(4-methylpiperazino)propoxy]quinazolin-4-yl]amino]benzothiophen-2-yl]propionic acid Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C5C=C(SC5=CC=C4)CCC(=O)O)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C5C=C(SC5=CC=C4)CCC(=O)O)OC

InChI

InChI=1S/C28H33N5O4S/c1-32-10-12-33(13-11-32)9-4-14-37-25-16-21-23(17-24(25)36-2)29-18-30-28(21)31-22-5-3-6-26-20(22)15-19(38-26)7-8-27(34)35/h3,5-6,15-18H,4,7-14H2,1-2H3,(H,34,35)(H,29,30,31)