(E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NCC=C

InChI

InChI=1S/C22H26N6O2/c1-4-8-24-21(29)17(15-23)14-18-20(27-12-10-26(5-2)11-13-27)25-19-16(3)7-6-9-28(19)22(18)30/h4,6-7,9,14H,1,5,8,10-13H2,2-3H3,(H,24,29)/p+1/b17-14+