2-[[6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[6-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyrimidin-4-yl]amino]thiazole-5-carbonitrile CAS Name: 2-[[6-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-4-pyrimidinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[6-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]pyrimidin-4-yl]amino]thiazole-5-carbonitrile Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

InChI

InChI=1S/C18H22N8OS/c19-10-14-11-20-18(28-14)23-15-9-16(22-13-21-15)25-7-5-24(6-8-25)12-17(27)26-3-1-2-4-26/h9,11,13H,1-8,12H2,(H,20,21,22,23)