2-[[6-[4-(5-oxidanylidene-1,4-diazepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[6-[4-(5-oxidanylidene-1,4-diazepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[6-[4-(5-oxo-1,4-diazepan-1-yl)-1-piperidyl]pyrimidin-4-yl]amino]thiazole-5-carbonitrile CAS Name: 2-[[6-[4-(5-oxo-1,4-diazepan-1-yl)-1-piperidinyl]-4-pyrimidinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[6-[4-(5-oxo-1,4-diazepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[6-[4-(5-keto-1,4-diazepan-1-yl)piperidino]pyrimidin-4-yl]amino]thiazole-5-carbonitrile Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(=O)NCC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

Isomeric SMILES

C1CN(CCC1N2CCC(=O)NCC2)C3=CC(=NC=N3)NC4=NC=C(S4)C#N

InChI

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