2-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol

Systemtic Name: 2-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol Openeye Name: 2-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol CAS Name: 2-[2-[[4-(1-azepanyl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol IUPAC Name: 2-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol Traditional Name: 2-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol Formula: C20H31N5O MolecularWeight: 357.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1O)N(NC)N2C=NC=CC2N3CCCCCC3

Isomeric SMILES

CC(CC1=CC=CC=C1O)N(NC)N2C=NC=CC2N3CCCCCC3

InChI

InChI=1S/C20H31N5O/c1-17(15-18-9-5-6-10-19(18)26)25(21-2)24-16-22-12-11-20(24)23-13-7-3-4-8-14-23/h5-6,9-12,16-17,20-21,26H,3-4,7-8,13-15H2,1-2H3