2-(2-pyrrolidin-1-ylethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine

Systemtic Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine Openeye Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)-4-[1-(3-thienylmethyl)-3-piperidyl]pyrimidine CAS Name: 2-[2-(1-pyrrolidinyl)ethylthio]-4-[1-(3-thiophenylmethyl)-3-piperidinyl]pyrimidine IUPAC Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine Traditional Name: 2-(2-pyrrolidinoethylthio)-4-[1-(3-thenyl)-3-piperidyl]pyrimidine Formula: C20H28N4S2 MolecularWeight: 388.59312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CSC=C4

InChI

InChI=1S/C20H28N4S2/c1-2-9-23(8-1)11-13-26-20-21-7-5-19(22-20)18-4-3-10-24(15-18)14-17-6-12-25-16-17/h5-7,12,16,18H,1-4,8-11,13-15H2