2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H13Cl2N3OS MolecularWeight: 378.27562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2N3OS/c18-14-2-1-12(8-15(14)19)10-24-17-21-9-13(16(23)22-17)7-11-3-5-20-6-4-11/h1-6,8-9H,7,10H2,(H,21,22,23)