(E)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide

Systemtic Name: (E)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Openeye Name: (E)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]-4-(3-morpholinopropylsulfanyl)but-2-enamide CAS Name: (E)-N-[4-(1H-indol-5-ylamino)-6-quinazolinyl]-4-[3-(4-morpholinyl)propylthio]-2-butenamide IUPAC Name: (E)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Traditional Name: (E)-N-[4-(1H-indol-5-ylamino)quinazolin-6-yl]-4-(3-morpholinopropylthio)but-2-enamide Formula: C27H30N6O2S MolecularWeight: 502.6311

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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)NC=C5

Isomeric SMILES

C1COCCN1CCCSC/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C27H30N6O2S/c34-26(3-1-15-36-16-2-10-33-11-13-35-14-12-33)31-22-5-7-25-23(18-22)27(30-19-29-25)32-21-4-6-24-20(17-21)8-9-28-24/h1,3-9,17-19,28H,2,10-16H2,(H,31,34)(H,29,30,32)/b3-1+