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

Systemtic Name: (E)-4-[[4-(isoquinolin-1-ylamino)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(1-isoquinolylamino)quinazolin-6-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(1-isoquinolinylamino)-6-quinazolinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(isoquinolin-1-ylamino)quinazolin-6-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(1-isoquinolylamino)quinazolin-6-yl]amino]-4-keto-but-2-enoic acid Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NC3=NC=NC4=C3C=C(C=C4)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NC3=NC=NC4=C3C=C(C=C4)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H15N5O3/c27-18(7-8-19(28)29)25-14-5-6-17-16(11-14)21(24-12-23-17)26-20-15-4-2-1-3-13(15)9-10-22-20/h1-12H,(H,25,27)(H,28,29)(H,22,23,24,26)/b8-7+