2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carbaldehyde

Systemtic Name: 2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carbaldehyde Openeye Name: 2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexanecarbaldehyde CAS Name: 2-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)-1-cyclohexanecarboxaldehyde IUPAC Name: 2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexane-1-carbaldehyde Traditional Name: 2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexanecarbaldehyde Formula: C22H35N5O MolecularWeight: 385.5462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCCC3(C=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCCC3(C=O)N4CCCCC4

InChI

InChI=1S/C22H35N5O/c28-18-22(27-16-8-3-9-17-27)12-5-4-10-19(22)24-21-23-13-11-20(25-21)26-14-6-1-2-7-15-26/h11,13,18-19H,1-10,12,14-17H2,(H,23,24,25)