[2-(2-azanylpyrimidin-5-yl)-3,6-dimethyl-quinolin-4-yl]-(azepan-1-yl)methanone

Systemtic Name: [2-(2-azanylpyrimidin-5-yl)-3,6-dimethyl-quinolin-4-yl]-(azepan-1-yl)methanone Openeye Name: [2-(2-aminopyrimidin-5-yl)-3,6-dimethyl-4-quinolyl]-(azepan-1-yl)methanone CAS Name: [2-(2-amino-5-pyrimidinyl)-3,6-dimethyl-4-quinolinyl]-(1-azepanyl)methanone IUPAC Name: [2-(2-aminopyrimidin-5-yl)-3,6-dimethylquinolin-4-yl]-(azepan-1-yl)methanone Traditional Name: [2-(2-aminopyrimidin-5-yl)-3,6-dimethyl-4-quinolyl]-(azepan-1-yl)methanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN=C(N=C3)N)C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN=C(N=C3)N)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O/c1-14-7-8-18-17(11-14)19(21(28)27-9-5-3-4-6-10-27)15(2)20(26-18)16-12-24-22(23)25-13-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,23,24,25)