methyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Systemtic Name: methyl (4R)-6-azanyl-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: methyl (4R)-6-amino-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]methyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-amino-5-cyano-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-cyano-2-[[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C24H23N6O3S+ MolecularWeight: 475.54282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CN=CC=C4)C(=O)OC)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=C([C@@H](C(=C(O3)N)C#N)C4=CN=CC=C4)C(=O)OC)C#N

InChI

InChI=1S/C24H22N6O3S/c1-30-7-5-18-16(12-30)8-15(9-25)23(29-18)34-13-19-21(24(31)32-2)20(14-4-3-6-28-11-14)17(10-26)22(27)33-19/h3-4,6,8,11,20H,5,7,12-13,27H2,1-2H3/p+1/t20-/m1/s1