3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol

Systemtic Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Openeye Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]phenol CAS Name: 3-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]phenol IUPAC Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Traditional Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]phenol Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C22H31N5O/c28-20-9-5-7-18(15-20)16-26-12-6-8-19(17-26)24-22-23-11-10-21(25-22)27-13-3-1-2-4-14-27/h5,7,9-11,15,19,28H,1-4,6,8,12-14,16-17H2,(H,23,24,25)