6-[[2,6-bis(chloranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 2-cyclopentylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-cyclopentylsulfanyl-6-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 2-(cyclopentylthio)-6-(2,6-dichlorobenzyl)-5-methyl-1H-pyrimidin-4-one Formula: C17H18Cl2N2OS MolecularWeight: 369.30862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C17H18Cl2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)