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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-iodanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-iodo-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-iodo-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-iodo-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-iodo-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C17H18IN5O MolecularWeight: 435.26219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18IN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1