(6S)-7-oxidanylidene-9-(4-pyrimidin-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile

Systemtic Name: (6S)-7-oxidanylidene-9-(4-pyrimidin-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Openeye Name: (6S)-7-oxo-9-(4-pyrimidin-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile CAS Name: (6S)-7-oxo-9-[4-(2-pyrimidinyl)-1-piperazinyl]-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile IUPAC Name: (6S)-7-oxo-9-(4-pyrimidin-2-ylpiperazin-1-yl)-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Traditional Name: (6S)-7-keto-9-[4-(2-pyrimidyl)piperazino]-8,10-diazaspiro[4.5]dec-9-ene-6-carbonitrile Formula: C17H21N7O MolecularWeight: 339.39494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=O)NC(=N2)N3CCN(CC3)C4=NC=CC=N4)C#N

Isomeric SMILES

C1CCC2(C1)[C@H](C(=O)NC(=N2)N3CCN(CC3)C4=NC=CC=N4)C#N

InChI

InChI=1S/C17H21N7O/c18-12-13-14(25)21-16(22-17(13)4-1-2-5-17)24-10-8-23(9-11-24)15-19-6-3-7-20-15/h3,6-7,13H,1-2,4-5,8-11H2,(H,21,22,25)/t13-/m0/s1