N-[(2S)-butan-2-yl]-2-[2-(dimethylamino)pyrimidin-5-yl]-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[2-(dimethylamino)pyrimidin-5-yl]-8-methyl-quinoline-4-carboxamide Openeye Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-8-methyl-N-[(1S)-1-methylpropyl]quinoline-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-[2-(dimethylamino)-5-pyrimidinyl]-8-methyl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[2-(dimethylamino)pyrimidin-5-yl]-8-methylquinoline-4-carboxamide Traditional Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-8-methyl-N-[(1S)-1-methylpropyl]cinchoninamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NC2=C1C=CC=C2C)C3=CN=C(N=C3)N(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NC2=C1C=CC=C2C)C3=CN=C(N=C3)N(C)C

InChI

InChI=1S/C21H25N5O/c1-6-14(3)24-20(27)17-10-18(15-11-22-21(23-12-15)26(4)5)25-19-13(2)8-7-9-16(17)19/h7-12,14H,6H2,1-5H3,(H,24,27)/t14-/m0/s1