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

Systemtic Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]phenol CAS Name: 2-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]phenol IUPAC Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Traditional Name: 2-[[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=C4O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H31N5O/c28-20-10-4-3-8-18(20)16-26-13-7-9-19(17-26)24-22-23-12-11-21(25-22)27-14-5-1-2-6-15-27/h3-4,8,10-12,19,28H,1-2,5-7,9,13-17H2,(H,23,24,25)