3-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol

Systemtic Name: 3-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol Openeye Name: 3-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]phenol CAS Name: 3-[2-[[4-(1-azepanyl)-2-pyrimidinyl]-(2-pyrrolidinyl)amino]ethyl]phenol IUPAC Name: 3-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-ylamino]ethyl]phenol Traditional Name: 3-[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=C3)O)C4CCCN4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N(CCC3=CC(=CC=C3)O)C4CCCN4

InChI

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