6-azanyl-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazino]quinoline-3-carboxylic acid Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C)N

Isomeric SMILES

CC1=NN=C(S1)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C)N

InChI

InChI=1S/C18H20N6O3S/c1-10-20-21-18(28-10)24-5-3-23(4-6-24)15-8-14-11(7-13(15)19)16(25)12(17(26)27)9-22(14)2/h7-9H,3-6,19H2,1-2H3,(H,26,27)