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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(2-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(2-methoxyphenyl)-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(2-methoxyphenyl)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(2-methoxyphenyl)-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-5-(2-methoxyphenyl)pyrimidin-1-yl]methyl]benzonitrile Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CN=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

Isomeric SMILES

COC1=CC=CC=C1C2=CN=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCC[C@H](C4)N

InChI

InChI=1S/C24H25N5O2/c1-31-22-11-5-4-10-20(22)21-14-27-24(28-12-6-9-19(26)16-28)29(23(21)30)15-18-8-3-2-7-17(18)13-25/h2-5,7-8,10-11,14,19H,6,9,12,15-16,26H2,1H3/t19-/m1/s1