6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyrazinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-(4-pyrazin-2-ylpiperazino)quinoline-3-carboxylic acid Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CN=C4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CN=C4)N)C(=O)O

InChI

InChI=1S/C19H20N6O3/c1-23-11-13(19(27)28)18(26)12-8-14(20)16(9-15(12)23)24-4-6-25(7-5-24)17-10-21-2-3-22-17/h2-3,8-11H,4-7,20H2,1H3,(H,27,28)