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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)N2CCC[C@H](C2)N)CC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O/c1-17-22(18-8-3-2-4-9-18)23(30)29(15-20-11-6-5-10-19(20)14-25)24(27-17)28-13-7-12-21(26)16-28/h2-6,8-11,21H,7,12-13,15-16,26H2,1H3/t21-/m1/s1