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

Systemtic Name: 3-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol Openeye Name: 3-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol CAS Name: 3-[2-[[4-(1-azepanyl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol IUPAC Name: 3-[2-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]propyl]phenol Traditional Name: 3-[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=C1)O)N(NC)N2C=NC=CC2N3CCCCCC3

Isomeric SMILES

CC(CC1=CC(=CC=C1)O)N(NC)N2C=NC=CC2N3CCCCCC3

InChI

InChI=1S/C20H31N5O/c1-17(14-18-8-7-9-19(26)15-18)25(21-2)24-16-22-11-10-20(24)23-12-5-3-4-6-13-23/h7-11,15-17,20-21,26H,3-6,12-14H2,1-2H3