2-[6-chloranyl-3-[dimethylaminomethyl(phenethyl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-[dimethylaminomethyl(phenethyl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-[dimethylaminomethyl(phenethyl)amino]-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[6-chloro-3-[dimethylaminomethyl(phenethyl)amino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-chloro-3-[dimethylaminomethyl(phenethyl)amino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[6-chloro-3-[dimethylaminomethyl(phenethyl)amino]-2-keto-pyrazin-1-yl]acetic acid Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CN(CCC1=CC=CC=C1)C2=NC=C(N(C2=O)CC(=O)O)Cl

Isomeric SMILES

CN(C)CN(CCC1=CC=CC=C1)C2=NC=C(N(C2=O)CC(=O)O)Cl

InChI

InChI=1S/C17H21ClN4O3/c1-20(2)12-21(9-8-13-6-4-3-5-7-13)16-17(25)22(11-15(23)24)14(18)10-19-16/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,24)