2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol

Systemtic Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol Openeye Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol CAS Name: 2-[2-[[4-(1-azepanyl)-2-pyrimidinyl]-(2-pyrrolidinyl)amino]ethyl]phenol IUPAC Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-ylamino]ethyl]phenol Traditional Name: 2-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC=CC=C3O)C4CCCN4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC=CC=C3O)C4CCCN4

InChI

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