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

Systemtic Name: ethyl (E)-4-[[4-(isoquinolin-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3/c1-2-31-22(30)9-8-21(29)27-16-6-7-19-18(12-16)23(26-14-25-19)28-20-5-3-4-15-13-24-11-10-17(15)20/h3-14H,2H2,1H3,(H,27,29)(H,25,26,28)/b9-8+