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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-(furan-3-yl)-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-(3-furyl)-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-(3-furanyl)-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(furan-3-yl)-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-(3-furyl)-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c22-10-15-4-1-2-5-16(15)12-26-20(27)19(17-7-9-28-14-17)11-24-21(26)25-8-3-6-18(23)13-25/h1-2,4-5,7,9,11,14,18H,3,6,8,12-13,23H2/t18-/m1/s1