5-[(5,6-dimethylpyridin-3-yl)methyl]-2-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]-1H-pyrimidin-6-one Openeye Name: 2-[3-[benzyl(2-pyridyl)amino]propylamino]-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(5,6-dimethyl-3-pyridinyl)methyl]-2-[3-[(phenylmethyl)-(2-pyridinyl)amino]propylamino]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[benzyl(pyridin-2-yl)amino]propylamino]-5-[(5,6-dimethylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[benzyl(2-pyridyl)amino]propylamino]-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)NCCCN(CC3=CC=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(N=CC(=C1)CC2=CN=C(NC2=O)NCCCN(CC3=CC=CC=C3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H30N6O/c1-20-15-23(17-30-21(20)2)16-24-18-31-27(32-26(24)34)29-13-8-14-33(25-11-6-7-12-28-25)19-22-9-4-3-5-10-22/h3-7,9-12,15,17-18H,8,13-14,16,19H2,1-2H3,(H2,29,31,32,34)