4-azanyl-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H19N5OS MolecularWeight: 305.39856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C14H19N5OS/c1-9-3-10(2)7-19(6-9)12(20)8-21-14-17-5-11(4-15)13(16)18-14/h5,9-10H,3,6-8H2,1-2H3,(H2,16,17,18)/t9-,10-/m1/s1