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

Systemtic Name: 3-(dimethylamino)propyl (E)-4-[[4-(isoquinolin-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 3-(dimethylamino)propyl (E)-4-[[4-(5-isoquinolylamino)quinazolin-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[4-(5-isoquinolinylamino)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl (E)-4-[[4-(isoquinolin-5-ylamino)quinazolin-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(5-isoquinolylamino)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid 3-(dimethylamino)propyl ester Formula: C26H26N6O3 MolecularWeight: 470.52304

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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=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C)CCCOC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H26N6O3/c1-32(2)13-4-14-35-25(34)10-9-24(33)30-19-7-8-22-21(15-19)26(29-17-28-22)31-23-6-3-5-18-16-27-12-11-20(18)23/h3,5-12,15-17H,4,13-14H2,1-2H3,(H,30,33)(H,28,29,31)/b10-9+