2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)ethanone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NC(=CC(=N3)N)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NC(=CC(=N3)N)C

InChI

InChI=1S/C21H26N4O2S/c1-6-27-15-7-8-17-16(10-15)13(2)11-21(4,5)25(17)19(26)12-28-20-23-14(3)9-18(22)24-20/h7-11H,6,12H2,1-5H3,(H2,22,23,24)