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

Systemtic Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Openeye Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]phenol CAS Name: 3-[[4-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]phenol IUPAC Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol Traditional Name: 3-[[4-[[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)NC3CCN(CC3)CC4=CC(=CC=C4)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)O

InChI

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