5-(pyridin-3-ylmethyl)-2-[3-(pyridin-2-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[3-(pyridin-2-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[3-(2-pyridylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[3-(2-pyridinylmethylthio)propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[3-(pyridin-2-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[3-(2-pyridylmethylthio)propylamino]-1H-pyrimidin-6-one Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C19H21N5OS/c25-18-16(11-15-5-3-7-20-12-15)13-23-19(24-18)22-9-4-10-26-14-17-6-1-2-8-21-17/h1-3,5-8,12-13H,4,9-11,14H2,(H2,22,23,24,25)