3-morpholin-4-ylpropyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-morpholin-4-ylpropyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 3-morpholinopropyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[4-(1H-indol-5-ylamino)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid 3-(4-morpholinyl)propyl ester IUPAC Name: 3-morpholin-4-ylpropyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid 3-morpholinopropyl ester Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC(=O)C=CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)NC=C5

Isomeric SMILES

C1COCCN1CCCOC(=O)/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C27H28N6O4/c34-25(6-7-26(35)37-13-1-10-33-11-14-36-15-12-33)31-21-3-5-24-22(17-21)27(30-18-29-24)32-20-2-4-23-19(16-20)8-9-28-23/h2-9,16-18,28H,1,10-15H2,(H,31,34)(H,29,30,32)/b7-6+