ethyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: ethyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[2-(2-methoxyanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(o-anisidino)ethyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C21H29N6O3+ MolecularWeight: 413.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=CC=C1OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=CC=C1OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N6O3/c1-3-25(15-19(28)24-17-7-4-5-8-18(17)30-2)16-20(29)26-11-13-27(14-12-26)21-22-9-6-10-23-21/h4-10H,3,11-16H2,1-2H3,(H,24,28)/p+1