4-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(4-methoxy-2,5-dimethyl-benzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)C)OC

InChI

InChI=1S/C25H36N4OS/c1-19-16-24(30-3)20(2)15-22(19)18-29-12-6-7-21(17-29)23-8-9-26-25(27-23)31-14-13-28-10-4-5-11-28/h8-9,15-16,21H,4-7,10-14,17-18H2,1-3H3