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

Systemtic Name: (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(1H-indol-5-ylamino)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid Formula: C20H15N5O3 MolecularWeight: 373.3648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2)C=C1NC3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN2)C=C1NC3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H15N5O3/c26-18(5-6-19(27)28)24-14-2-4-17-15(10-14)20(23-11-22-17)25-13-1-3-16-12(9-13)7-8-21-16/h1-11,21H,(H,24,26)(H,27,28)(H,22,23,25)/b6-5+