N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-morpholin-4-ylbutylamino)phenyl]sulfanyl-quinazolin-4-amine

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-morpholin-4-ylbutylamino)phenyl]sulfanyl-quinazolin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-morpholinobutylamino)phenyl]sulfanyl-quinazolin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-[4-(4-morpholinyl)butylamino]phenyl]thio]-4-quinazolinamine IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(4-morpholin-4-ylbutylamino)phenyl]sulfanylquinazolin-4-amine Traditional Name: (5-methyl-1H-pyrazol-3-yl)-[2-[[4-(4-morpholinobutylamino)phenyl]thio]quinazolin-4-yl]amine Formula: C26H31N7OS MolecularWeight: 489.63564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NCCCCN5CCOCC5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NCCCCN5CCOCC5

InChI

InChI=1S/C26H31N7OS/c1-19-18-24(32-31-19)29-25-22-6-2-3-7-23(22)28-26(30-25)35-21-10-8-20(9-11-21)27-12-4-5-13-33-14-16-34-17-15-33/h2-3,6-11,18,27H,4-5,12-17H2,1H3,(H2,28,29,30,31,32)