2-[3-chloranyl-2-methyl-5-[2-[3-(methylaminomethyl)phenyl]ethylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: 2-[3-chloranyl-2-methyl-5-[2-[3-(methylaminomethyl)phenyl]ethylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: 2-[3-chloro-2-methyl-5-[2-[3-(methylaminomethyl)phenyl]ethylamino]-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-methyl-5-[2-[3-(methylaminomethyl)phenyl]ethylamino]-6-oxo-1-pyrazinyl]acetate IUPAC Name: 2-[3-chloro-2-methyl-5-[2-[3-(methylaminomethyl)phenyl]ethylamino]-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-[2-[3-(methylaminomethyl)phenyl]ethylamino]pyrazin-1-yl]acetate Formula: C17H20ClN4O3- MolecularWeight: 363.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)[O-])NCCC2=CC(=CC=C2)CNC)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)[O-])NCCC2=CC(=CC=C2)CNC)Cl

InChI

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