4-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(4-fluoro-3-methoxy-phenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(4-fluoro-3-methoxy-benzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C23H31FN4OS MolecularWeight: 430.581843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)F

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)F

InChI

InChI=1S/C23H31FN4OS/c1-29-22-15-18(6-7-20(22)24)16-28-12-4-5-19(17-28)21-8-9-25-23(26-21)30-14-13-27-10-2-3-11-27/h6-9,15,19H,2-5,10-14,16-17H2,1H3