5-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(2-oxo-1H-pyridin-4-yl)methyl]-2-[4-[propyl(2-pyridyl)amino]butylamino]-1H-pyrimidin-6-one CAS Name: 5-[(2-oxo-1H-pyridin-4-yl)methyl]-2-[4-[propyl(2-pyridinyl)amino]butylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(2-oxo-1H-pyridin-4-yl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(2-keto-1H-pyridin-4-yl)methyl]-2-[4-[propyl(2-pyridyl)amino]butylamino]-1H-pyrimidin-6-one Formula: C22H28N6O2 MolecularWeight: 408.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCNC1=NC=C(C(=O)N1)CC2=CC(=O)NC=C2)C3=CC=CC=N3

Isomeric SMILES

CCCN(CCCCNC1=NC=C(C(=O)N1)CC2=CC(=O)NC=C2)C3=CC=CC=N3

InChI

InChI=1S/C22H28N6O2/c1-2-12-28(19-7-3-4-9-23-19)13-6-5-10-25-22-26-16-18(21(30)27-22)14-17-8-11-24-20(29)15-17/h3-4,7-9,11,15-16H,2,5-6,10,12-14H2,1H3,(H,24,29)(H2,25,26,27,30)