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

Systemtic Name: 4-[1-(phenylmethyl)piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-(1-benzyl-3-piperidyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-(phenylmethyl)-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-(1-benzylpiperidin-3-yl)-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-(1-benzyl-3-piperidyl)-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C22H30N4S MolecularWeight: 382.5654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4S/c1-2-7-19(8-3-1)17-26-14-6-9-20(18-26)21-10-11-23-22(24-21)27-16-15-25-12-4-5-13-25/h1-3,7-8,10-11,20H,4-6,9,12-18H2