[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-piperidin-1-yl] 5-oxidanylidenepentanoate

Systemtic Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-piperidin-1-yl] 5-oxidanylidenepentanoate Openeye Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-1-piperidyl] 5-oxopentanoate CAS Name: 5-oxopentanoic acid [2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-2-(1-pyrrolidinyl)-1-piperidinyl] ester IUPAC Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-ylpiperidin-1-yl] 5-oxopentanoate Traditional Name: 5-ketovaleric acid [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidino-piperidino] ester Formula: C24H38N6O3 MolecularWeight: 458.59692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(NC2=NC=CC(=N2)C3CCCNCC3)N4CCCC4)OC(=O)CCCC=O

Isomeric SMILES

C1CCN(C(C1)(NC2=NC=CC(=N2)C3CCCNCC3)N4CCCC4)OC(=O)CCCC=O

InChI

InChI=1S/C24H38N6O3/c31-19-6-1-9-22(32)33-30-18-3-2-12-24(30,29-16-4-5-17-29)28-23-26-15-11-21(27-23)20-8-7-13-25-14-10-20/h11,15,19-20,25H,1-10,12-14,16-18H2,(H,26,27,28)