1-[2-[1-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-2-yl]-5-methoxy-phenyl]hexane-1-thione

Systemtic Name: 1-[2-[1-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-2-yl]-5-methoxy-phenyl]hexane-1-thione Openeye Name: 1-[2-[1-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-2-yl]-5-methoxy-phenyl]hexane-1-thione CAS Name: 1-[2-[1-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-2-piperazinyl]-5-methoxyphenyl]-1-hexanethione IUPAC Name: 1-[2-[1-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-2-yl]-5-methoxyphenyl]hexane-1-thione Traditional Name: 1-[2-[1-(2,6-dipyrrolidinopyrimidin-4-yl)piperazin-2-yl]-5-methoxy-phenyl]hexane-1-thione Formula: C29H42N6OS MolecularWeight: 522.74838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=S)C1=C(C=CC(=C1)OC)C2CNCCN2C3=NC(=NC(=C3)N4CCCC4)N5CCCC5

Isomeric SMILES

CCCCCC(=S)C1=C(C=CC(=C1)OC)C2CNCCN2C3=NC(=NC(=C3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C29H42N6OS/c1-3-4-5-10-26(37)24-19-22(36-2)11-12-23(24)25-21-30-13-18-35(25)28-20-27(33-14-6-7-15-33)31-29(32-28)34-16-8-9-17-34/h11-12,19-20,25,30H,3-10,13-18,21H2,1-2H3