2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-2-phenyl-pyrimidin-5-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-2-phenyl-pyrimidin-5-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 2-[[4-(3-amino-1-piperidyl)-1-methyl-6-oxo-2-phenyl-pyrimidin-5-yl]-methyl-amino]benzonitrile CAS Name: 2-[[4-(3-amino-1-piperidinyl)-1-methyl-6-oxo-2-phenyl-5-pyrimidinyl]-methylamino]benzonitrile IUPAC Name: 2-[[4-(3-aminopiperidin-1-yl)-1-methyl-6-oxo-2-phenylpyrimidin-5-yl]-methylamino]benzonitrile Traditional Name: 2-[[4-(3-aminopiperidino)-6-keto-1-methyl-2-phenyl-pyrimidin-5-yl]-methyl-amino]benzonitrile Formula: C24H26N6O MolecularWeight: 414.50284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C(C1=O)N(C)C2=CC=CC=C2C#N)N3CCCC(C3)N)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NC(=C(C1=O)N(C)C2=CC=CC=C2C#N)N3CCCC(C3)N)C4=CC=CC=C4

InChI

InChI=1S/C24H26N6O/c1-28(20-13-7-6-11-18(20)15-25)21-23(30-14-8-12-19(26)16-30)27-22(29(2)24(21)31)17-9-4-3-5-10-17/h3-7,9-11,13,19H,8,12,14,16,26H2,1-2H3