2-[[1,8-bis(azanyl)-5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2,7-naphthyridin-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[1,8-bis(azanyl)-5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2,7-naphthyridin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[1,8-diamino-5-cyano-6-(4-ethoxycarbonyl-1-piperidyl)-2,7-naphthyridin-3-yl]sulfanyl]acetate CAS Name: 2-[[1,8-diamino-5-cyano-6-(4-ethoxycarbonyl-1-piperidinyl)-2,7-naphthyridin-3-yl]thio]acetate IUPAC Name: 2-[[1,8-diamino-5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2,7-naphthyridin-3-yl]sulfanyl]acetate Traditional Name: 2-[[1,8-diamino-6-(4-carbethoxypiperidino)-5-cyano-2,7-naphthyridin-3-yl]thio]acetate Formula: C19H21N6O4S- MolecularWeight: 429.47284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C3=CC(=NC(=C3C(=N2)N)N)SCC(=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C3=CC(=NC(=C3C(=N2)N)N)SCC(=O)[O-])C#N

InChI

InChI=1S/C19H22N6O4S/c1-2-29-19(28)10-3-5-25(6-4-10)18-12(8-20)11-7-13(30-9-14(26)27)23-16(21)15(11)17(22)24-18/h7,10H,2-6,9H2,1H3,(H2,21,23)(H2,22,24)(H,26,27)/p-1