2-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[(phenylmethyl)-pyridin-2-yl-amino]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-[benzyl(2-pyridyl)amino]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-[(phenylmethyl)-(2-pyridinyl)amino]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-[benzyl(pyridin-2-yl)amino]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-[benzyl(2-pyridyl)amino]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H26N6O/c32-24-22(17-20-10-14-26-15-11-20)18-29-25(30-24)28-13-6-16-31(23-9-4-5-12-27-23)19-21-7-2-1-3-8-21/h1-5,7-12,14-15,18H,6,13,16-17,19H2,(H2,28,29,30,32)