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

Systemtic Name: 3-(dimethylamino)propyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 3-(dimethylamino)propyl (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-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl (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-(dimethylamino)propyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4

Isomeric SMILES

CN(C)CCCOC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C25H26N6O3/c1-31(2)12-3-13-34-24(33)9-8-23(32)29-19-5-7-22-20(15-19)25(28-16-27-22)30-18-4-6-21-17(14-18)10-11-26-21/h4-11,14-16,26H,3,12-13H2,1-2H3,(H,29,32)(H,27,28,30)/b9-8+