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

Systemtic Name: 1-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5-methoxy-phenyl]hexane-1-thiol Openeye Name: 1-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5-methoxy-phenyl]hexane-1-thiol CAS Name: 1-[2-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-5-methoxyphenyl]-1-hexanethiol IUPAC Name: 1-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5-methoxyphenyl]hexane-1-thiol Traditional Name: 1-[2-[4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]-5-methoxy-phenyl]hexane-1-thiol Formula: C29H44N6OS MolecularWeight: 524.76426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=CC(=C1)OC)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5)S

Isomeric SMILES

CCCCCC(C1=C(C=CC(=C1)OC)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5)S

InChI

InChI=1S/C29H44N6OS/c1-3-4-5-10-26(37)24-21-23(36-2)11-12-25(24)32-17-19-34(20-18-32)28-22-27(33-13-6-7-14-33)30-29(31-28)35-15-8-9-16-35/h11-12,21-22,26,37H,3-10,13-20H2,1-2H3