ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: ethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(m-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=C1)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

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