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

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-6-oxidanylidene-5-pyrrolidin-1-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-6-oxo-5-pyrrolidin-1-yl-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-6-oxo-5-(1-pyrrolidinyl)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-6-oxo-5-pyrrolidin-1-ylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-6-keto-5-pyrrolidino-pyrimidin-1-yl]methyl]benzonitrile Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CN=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

Isomeric SMILES

C1CCN(C1)C2=CN=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

InChI

InChI=1S/C21H26N6O/c22-12-16-6-1-2-7-17(16)14-27-20(28)19(25-9-3-4-10-25)13-24-21(27)26-11-5-8-18(23)15-26/h1-2,6-7,13,18H,3-5,8-11,14-15,23H2