(2S)-2-[[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]propanamide

Systemtic Name: (2S)-2-[[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]propanamide Openeye Name: (2S)-2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]propanamide CAS Name: (2S)-2-[[(2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinazolin-4-yl]amino]propanamide IUPAC Name: (2S)-2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]propanamide Traditional Name: (2S)-2-[[(2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]amino]propionamide Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=NC(=C2C=CC=CC2=O)NC3=CC=CC=C31

Isomeric SMILES

C[C@@H](C(=O)N)NC1=N/C(=C/2\C=CC=CC2=O)/NC3=CC=CC=C31

InChI

InChI=1S/C17H16N4O2/c1-10(15(18)23)19-16-11-6-2-4-8-13(11)20-17(21-16)12-7-3-5-9-14(12)22/h2-10,20H,1H3,(H2,18,23)(H,19,21)/b17-12+/t10-/m0/s1