(E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-[6-(pyridin-2-ylamino)hexyl]prop-2-enamide

Systemtic Name: (E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-[6-(pyridin-2-ylamino)hexyl]prop-2-enamide Openeye Name: (E)-3-(6-isopropyl-4-oxo-quinazolin-3-yl)-N-[6-(2-pyridylamino)hexyl]prop-2-enamide CAS Name: (E)-3-(4-oxo-6-propan-2-yl-3-quinazolinyl)-N-[6-(2-pyridinylamino)hexyl]-2-propenamide IUPAC Name: (E)-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-[6-(pyridin-2-ylamino)hexyl]prop-2-enamide Traditional Name: (E)-3-(6-isopropyl-4-keto-quinazolin-3-yl)-N-[6-(2-pyridylamino)hexyl]acrylamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCCCCCNC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCCCCCNC3=CC=CC=N3

InChI

InChI=1S/C25H31N5O2/c1-19(2)20-10-11-22-21(17-20)25(32)30(18-29-22)16-12-24(31)28-15-7-4-3-6-13-26-23-9-5-8-14-27-23/h5,8-12,14,16-19H,3-4,6-7,13,15H2,1-2H3,(H,26,27)(H,28,31)/b16-12+