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

Systemtic Name: 3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxy-quinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Openeye Name: 3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxy-quinazolin-4-yl]amino]benzothiophen-2-yl]propanoic acid CAS Name: 3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxy-4-quinazolinyl]amino]-1-benzothiophen-2-yl]propanoic acid IUPAC Name: 3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxyquinazolin-4-yl]amino]-1-benzothiophen-2-yl]propanoic acid Traditional Name: 3-[4-[[6-[3-(diethylamino)propoxy]-7-methoxy-quinazolin-4-yl]amino]benzothiophen-2-yl]propionic acid Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C=C(SC4=CC=C3)CCC(=O)O)OC

Isomeric SMILES

CCN(CC)CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C=C(SC4=CC=C3)CCC(=O)O)OC

InChI

InChI=1S/C27H32N4O4S/c1-4-31(5-2)12-7-13-35-24-15-20-22(16-23(24)34-3)28-17-29-27(20)30-21-8-6-9-25-19(21)14-18(36-25)10-11-26(32)33/h6,8-9,14-17H,4-5,7,10-13H2,1-3H3,(H,32,33)(H,28,29,30)