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

Systemtic Name: ethyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3/c1-2-30-21(29)8-7-20(28)26-16-4-6-19-17(12-16)22(25-13-24-19)27-15-3-5-18-14(11-15)9-10-23-18/h3-13,23H,2H2,1H3,(H,26,28)(H,24,25,27)/b8-7+