(E)-N-[4-(1H-indazol-6-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide

Systemtic Name: (E)-N-[4-(1H-indazol-6-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Openeye Name: (E)-N-[4-(1H-indazol-6-ylamino)quinazolin-6-yl]-4-(3-morpholinopropylsulfanyl)but-2-enamide CAS Name: (E)-N-[4-(1H-indazol-6-ylamino)-6-quinazolinyl]-4-[3-(4-morpholinyl)propylthio]-2-butenamide IUPAC Name: (E)-N-[4-(1H-indazol-6-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Traditional Name: (E)-N-[4-(1H-indazol-6-ylamino)quinazolin-6-yl]-4-(3-morpholinopropylthio)but-2-enamide Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCSCC=CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)C=NN5

Isomeric SMILES

C1COCCN1CCCSC/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)C=NN5

InChI

InChI=1S/C26H29N7O2S/c34-25(3-1-13-36-14-2-8-33-9-11-35-12-10-33)30-20-6-7-23-22(15-20)26(28-18-27-23)31-21-5-4-19-17-29-32-24(19)16-21/h1,3-7,15-18H,2,8-14H2,(H,29,32)(H,30,34)(H,27,28,31)/b3-1+