2-azanyl-3-[3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]-1-oxidanyl-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]-1-oxidanyl-propyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-hydroxy-3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]propyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-hydroxy-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]propyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-hydroxy-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]propyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-hydroxy-3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]propyl]thio]propionic acid Formula: C27H29N5O4S MolecularWeight: 519.61526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)CCC(O)SCC(C(=O)O)N)C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)CCC(O)SCC(C(=O)O)N)C

InChI

InChI=1S/C27H29N5O4S/c1-16-11-19(6-9-24(16)36-20-7-3-17(2)29-13-20)32-26-21-12-18(4-8-23(21)30-15-31-26)5-10-25(33)37-14-22(28)27(34)35/h3-4,6-9,11-13,15,22,25,33H,5,10,14,28H2,1-2H3,(H,34,35)(H,30,31,32)