6-[(4-chlorophenyl)methyl]-5-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)methyl]-5-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)methyl]-5-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methyl]-5-methyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)methyl]-5-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-(4-chlorobenzyl)-5-methyl-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-4-one Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCN2CCCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCN2CCCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-13-16(12-14-4-6-15(19)7-5-14)20-18(21-17(13)23)24-11-10-22-8-2-3-9-22/h4-7H,2-3,8-12H2,1H3,(H,20,21,23)