2-[5-chloranyl-3-[3-(dimethylamino)propylamino]-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-[3-(dimethylamino)propylamino]-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-[3-(dimethylamino)propylamino]-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-[3-(dimethylamino)propylamino]-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-[3-(dimethylamino)propylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[3-(dimethylamino)propylamino]-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CN(C)CCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

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