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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-oxidanylidene-5-(1H-pyrrol-3-yl)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-oxo-5-(1H-pyrrol-3-yl)pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-oxo-5-(1H-pyrrol-3-yl)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxo-5-(1H-pyrrol-3-yl)pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-5-(1H-pyrrol-3-yl)pyrimidin-1-yl]methyl]benzonitrile Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C4=CNC=C4)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)C4=CNC=C4)N

InChI

InChI=1S/C21H22N6O/c22-10-15-4-1-2-5-17(15)13-27-20(28)19(16-7-8-24-11-16)12-25-21(27)26-9-3-6-18(23)14-26/h1-2,4-5,7-8,11-12,18,24H,3,6,9,13-14,23H2/t18-/m1/s1