N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-(3-morpholinopropoxy)quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-[3-(4-morpholinyl)propoxy]-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-(3-morpholinopropoxy)quinazolin-2-yl]thio]phenyl]acetamide Formula: C27H31N7O3S MolecularWeight: 533.64514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)OCCCN5CCOCC5

Isomeric SMILES

CC1=CC(=NN1)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)OCCCN5CCOCC5

InChI

InChI=1S/C27H31N7O3S/c1-17-14-23(33-32-17)22-15-20(37-11-3-8-34-9-12-36-13-10-34)16-24-25(22)26(28)31-27(30-24)38-21-6-4-19(5-7-21)29-18(2)35/h4-7,14-16H,3,8-13H2,1-2H3,(H,29,35)(H,32,33)(H2,28,30,31)