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

Systemtic Name: (E)-2-cyano-N-ethyl-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-ethyl-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-ethyl-3-[9-methyl-2-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-ethyl-3-[9-methyl-2-(4-methylpiperazin-4-ium-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-ethyl-3-[4-keto-9-methyl-2-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]pyrimidin-3-yl]acrylamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=C(N=C2C(=CC=CN2C1=O)C)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CCNC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CC[NH+](CC3)C)/C#N

InChI

InChI=1S/C20H24N6O2/c1-4-22-19(27)15(13-21)12-16-18(25-10-8-24(3)9-11-25)23-17-14(2)6-5-7-26(17)20(16)28/h5-7,12H,4,8-11H2,1-3H3,(H,22,27)/p+1/b15-12+