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

Systemtic Name: ethyl 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2S/c1-3-26-18(25)16-11(2)13-6-4-5-7-14(13)23-15(16)10-27-19-22-9-12(8-20)17(21)24-19/h4-7,9H,3,10H2,1-2H3,(H2,21,22,24)