methyl 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H17N5O2S/c1-30-22(29)20-18(13-31-23-26-12-15(11-24)21(25)28-23)27-17-10-6-5-9-16(17)19(20)14-7-3-2-4-8-14/h2-10,12H,13H2,1H3,(H2,25,26,28)