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

Systemtic Name: 4-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(3-ethoxy-4-methoxy-benzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)OC

InChI

InChI=1S/C25H36N4O2S/c1-3-31-24-17-20(8-9-23(24)30-2)18-29-14-6-7-21(19-29)22-10-11-26-25(27-22)32-16-15-28-12-4-5-13-28/h8-11,17,21H,3-7,12-16,18-19H2,1-2H3