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

Systemtic Name: 2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-2-phenyl-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-amino-1-piperidyl)-1-methyl-6-oxo-2-phenyl-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-amino-1-piperidinyl)-1-methyl-6-oxo-2-phenyl-5-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-aminopiperidin-1-yl)-1-methyl-6-oxo-2-phenylpyrimidin-5-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-aminopiperidino)-6-keto-1-methyl-2-phenyl-pyrimidin-5-yl]methyl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NC(=C(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O/c1-28-22(17-8-3-2-4-9-17)27-23(29-13-7-12-20(26)16-29)21(24(28)30)14-18-10-5-6-11-19(18)15-25/h2-6,8-11,20H,7,12-14,16,26H2,1H3