2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-6-oxidanylidene-pyrimidin-1-yl]methyl]thiophene-3-carbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-bromo-6-oxo-pyrimidin-1-yl]methyl]thiophene-3-carbonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-bromo-6-oxo-1-pyrimidinyl]methyl]-3-thiophenecarbonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1-yl]methyl]thiophene-3-carbonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-bromo-6-keto-pyrimidin-1-yl]methyl]thiophene-3-carbonitrile Formula: C15H16BrN5OS MolecularWeight: 394.28944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C(=O)N2CC3=C(C=CS3)C#N)Br)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC=C(C(=O)N2CC3=C(C=CS3)C#N)Br)N

InChI

InChI=1S/C15H16BrN5OS/c16-12-7-19-15(20-4-1-2-11(18)8-20)21(14(12)22)9-13-10(6-17)3-5-23-13/h3,5,7,11H,1-2,4,8-9,18H2/t11-/m1/s1