3-[2-[azanyl-[1-(2-oxidanylidene-2-pyrimidin-2-yl-ethyl)piperidin-4-yl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile

Systemtic Name: 3-[2-[azanyl-[1-(2-oxidanylidene-2-pyrimidin-2-yl-ethyl)piperidin-4-yl]amino]ethanoyl]-1,3-thiazolidine-4-carbonitrile Openeye Name: 3-[2-[amino-[1-(2-oxo-2-pyrimidin-2-yl-ethyl)-4-piperidyl]amino]acetyl]thiazolidine-4-carbonitrile CAS Name: 3-[2-[amino-[1-[2-oxo-2-(2-pyrimidinyl)ethyl]-4-piperidinyl]amino]-1-oxoethyl]-4-thiazolidinecarbonitrile IUPAC Name: 3-[2-[amino-[1-(2-oxo-2-pyrimidin-2-ylethyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile Traditional Name: 3-[2-[amino-[1-[2-keto-2-(2-pyrimidyl)ethyl]-4-piperidyl]amino]acetyl]thiazolidine-4-carbonitrile Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC(=O)N2CSCC2C#N)N)CC(=O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1N(CC(=O)N2CSCC2C#N)N)CC(=O)C3=NC=CC=N3

InChI

InChI=1S/C17H23N7O2S/c18-8-14-11-27-12-23(14)16(26)10-24(19)13-2-6-22(7-3-13)9-15(25)17-20-4-1-5-21-17/h1,4-5,13-14H,2-3,6-7,9-12,19H2