3-[[1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethylamino]methyl]phenol

Systemtic Name: 3-[[1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethylamino]methyl]phenol Openeye Name: 3-[[1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethylamino]methyl]phenol CAS Name: 3-[[1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethylamino]methyl]phenol IUPAC Name: 3-[[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethylamino]methyl]phenol Traditional Name: 3-[[1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethylamino]methyl]phenol Formula: C21H30N4O MolecularWeight: 354.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NCC2=CC(=CC=C2)O)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1C(C)NCC2=CC(=CC=C2)O)N3CCCCCCC3

InChI

InChI=1S/C21H30N4O/c1-16(22-14-18-9-8-10-19(26)13-18)20-15-23-21(24-17(20)2)25-11-6-4-3-5-7-12-25/h8-10,13,15-16,22,26H,3-7,11-12,14H2,1-2H3