2-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile

Systemtic Name: 2-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Openeye Name: 2-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile CAS Name: 2-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile IUPAC Name: 2-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Traditional Name: 2-keto-4-[4-(2-pyrimidyl)piperazino]-3,5-diazaspiro[5.6]dodec-4-ene-1-carbonitrile Formula: C19H25N7O MolecularWeight: 367.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=NC=CC=N4)C#N

Isomeric SMILES

C1CCCC2(CC1)C(C(=O)NC(=N2)N3CCN(CC3)C4=NC=CC=N4)C#N

InChI

InChI=1S/C19H25N7O/c20-14-15-16(27)23-18(24-19(15)6-3-1-2-4-7-19)26-12-10-25(11-13-26)17-21-8-5-9-22-17/h5,8-9,15H,1-4,6-7,10-13H2,(H,23,24,27)